Validamycin A
-
Identifiers
CAS number
37248-47-8Molecular formula
C20H35NO13SMILES
C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO
Safety labels
Irritant -
Odor profile
Odorless 74.06% Sweet 41.11% Alcoholic 21.66% Savory 17.83% Cooling 17.64% Fishy 16.61% Woody 16.32% Caramellic 16.14% Bitter 16.06% Vanilla 15.7% Scent© AI
-
Properties
XLogP3-AA
-6.3Molecular weight
497.5 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Moderately fastBoiling point est.
3906°CMelting point expt.
- 130-135 °C (with decomp)
Flash point est.
312.97 ˚CSolubility expt.
- Solubility: very soluble in water; soluble in dimethylformamide, dimethyl sulphoxide, methanol; sparingly soluble in acetone, ethanol.
- Sparingly soluble in diethyl ether and ethyl acetate.
-
Synonyms
- Validamycin
- VALIDAMYCIN A
- 37248-47-8
- Validacin
- Valimon
- UNII-313E9620QS
- CHEBI:29703
- HSDB 6745
- 313E9620QS
- T-7545-A
- VALIDAMYCIN A [HSDB]
- (2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- DTXSID4058073
- VALIDAMYCINS VALIDAMYCIN A [MI]
- (1S-(1a,4a,5B,6a))-1,5,6-Trideoxy-3-O-B-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-d-chiro-inositol
- (1S-(1alpha,4alpha,5beta,6alpha))-1,5,6-trideoxy-4-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-D-chiro-inositol
- 1L-(1,3,4/2,6)-2,3-Dihydroxy-6-hydromethyl-4-((1S,4R,5S,6S)-4,5,6-trihydroxy-3-hydroxymethylcyclohex-2-enylamino)cyclohexyl beta-D-glucopyranoside
- 1L-(1,3,4/2,6)-2,3-Dihydroxy-6-hydroxymethyl-4-((1S,4R,5S,6S)-4,5,6-trihydroxy-3-hydroxymethylcyclohex-2-enylamino)cyclohexyl beta-D-glucopyranoside
- D-1,5,6-Trideoxy-3-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-D-chiroinositol
- (1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl beta-D-glucopyranoside
- (2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
- D-chiro-Inositol, 1,5,6-trideoxy-3-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1-alpha,4-alpha,5-beta,6-alpha))-
- D-CHIRO-INOSITOL, 1,5,6-TRIDEOXY-4-O-.BETA.-D-GLUCOPYRANOSYL-5-(HYDROXYMETHYL)-1-(((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2-CYCLOHEXEN-1-YL)AMINO)-
- D-CHIRO-INOSITOL, 1,5,6-TRIDEOXY-4-O-.BETA.-D-GLUCOPYRANOSYL-5-(HYDROXYMETHYL)-1-((4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2-CYCLOHEXEN-1-YL)AMINO)-, (1S-(1.ALPHA.,4.ALPHA.,5.BETA.,6.ALPHA.))-
- Validamycin A (>70%) Hydrochloride Salt
- Cepex 10SL; Validacin
- Validamycin A Sulfate salt (Technical grade)
- jinganmycin A
- (1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino)cyclohexyl beta-D-glucopyranoside
- (2R,3R,4S,5S,6R)-2-((1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino)cyclohexoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
- (2R,5S)-2-((1R,2R,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino)cyclohexyl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- (2R,5S)-2-[(1R,2R,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- 1,5,6-Trideoxy-4-O-b-D-glucopyranosyl-5-(hydroxymethyl)-1-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-D-chiro-inositol
- 1,5,6-Trideoxy-4-O-b-D-glucopyranosyl-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-D-chiro-inositol
- 1,5,6-Trideoxy-4-O-I2-D-glucopyranosyl-5-(hydroxymethyl)-1-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-D-chiro-inositol
- 1,5,6-Trideoxy-4-O-I2-D-glucopyranosyl-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-D-chiro-inositol
- D-chiro-Inositol, 1,5,6-trideoxy-4-O-.beta.-D-glucopyranosyl-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-
- D-CHIRO-INOSITOL, 1,5,6-TRIDEOXY-4-O-BETA-D-GLUCOPYRANOSYL-5-(HYDROXYMETHYL)-1-(((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2-CYCLOHEXEN-1-YL)AMINO)-
- D-chiro-Inositol, 1,5,6-trideoxy-4-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-
- MFCD09028089
- (+)-validamycin A
- Validamycin A (Standard)
- SCHEMBL3121491
- CHEMBL1923413
- DTXCID0031841
- HY-B0856R
- VALIDAMYCINS VALIDAMYCIN A
- JARYYMUOCXVXNK-CSLFJTBJSA-N
- HY-B0856
- T7545A
- AKOS016012982
- AG-F-30599
- AV59477
- AC-32607
- AS-15281
- CS-0012869
- Validamycin A, PESTANAL(R), analytical standard
- Validamycin; CE30; JARYYMUOCXVXNK-CSLFJTBJSA-N
- D-Chiro-inositol,1,5,6-trideoxy-3-O-beta-D-glucopyranosyl-
- (1S(1a,4a,5b,6a))1,5,6Trideoxy3ObDglucopyranosyl5(hydroxymethyl)1((4,5,6trihydroxy3(hydroxymethyl)2cyclohexen1yl)amino)Dchiroinositol
- (1S(1alpha,4alpha,5beta,6alpha))1,5,6trideoxy4ObetaDglucopyranosyl5(hydroxymethyl)1((4,5,6trihydroxy3(hydroxymethyl)2cyclohexen1yl)amino)Dchiroinositol
- (1S-(1 alpha, 4 alpha, 5 beta, 6 alpha))-1,5,6-trideoxy-4-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-D-chiro-inositol
- (1S-(1.ALPHA.,4.ALPHA.,5.BETA.,6.ALPHA.))-1,5,6-TRIDEOXY-4-O-.BETA.-D- GLUCOPYRANOSYL-5-(HYDROXYMETHYL)-1-((4,5,6-TRIHYDROXY-3- (HYDROXYMETHYL)-2-CYCLOHEXEN-1-YL)AMINO)-D-CHIRO-INOSITOL
- (1S-(1A,4A,5B,6A))-1,5,6-TRIDEOXY-3-O-B-D-GLUCOPYRANOSYL-5- (HYDROXYMETHYL)-1-((4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2- CYCLOHEXEN-1-YL)AMINO)-D-CHIRO-INOSITOL
- (1S-(1a,4a,5B,6a))-1,5,6-trideoxy-3-O-B-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-=2-cyclohexen-1-yl)amino)-d-chiro-inositol
- (1S-(1a,4a,5b,6a))-1,5,6-Trideoxy-4-O-b-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-D-chiro-inositol
- (2R,3R,4S,5S,6R)-2-(((1R,2R,3S,4S,6R)-2,3-Dihydroxy-6-(hydroxymethyl)-4-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino)cyclohexyl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
- 1,5,6-trideoxy-4-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-D-chiro-inositol
- 1L(1,3,4/2,6)2,3Dihydroxy6hydromethyl4((1S,4R,5S,6S)4,5,6trihydroxy3hydroxymethylcyclohex2enylamino)cyclohexyl betaDglucopyranoside
- 1L(1,3,4/2,6)2,3Dihydroxy6hydroxymethyl4((1S,4R,5S,6S)4,5,6trihydroxy3hydroxymethylcyclohex2enylamino)cyclohexyl betaDglucopyranoside
- 1L-(1,3,4/2,6)-2,3-DIHYDROXY-6-HYDROMETHYL-4-((1S,4R,5S,6S)- 4,5,6-TRIHYDROXY-3-HYDROXYMETHYLCYCLOHEX-2- ENYLAMINO)CYCLOHEXYL .BETA.-D-GLUCOPYRANOSIDE
- 1L-(1,3,4/2,6)-2,3-dihydroxy-6-hydromethyl-4-((1S,4R,5S,6S)-4,5,6-trihydroxy-3-hydroxymethylcyclohex-2-enylamino) cyclohexyl beta-D-glucopyranoside
- 1L-(1,3,4/2,6)-2,3-DIHYDROXY-6-HYDROMETHYL-4-((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-HYDROXYMETHYLCYCLOHEX-2-ENYLAMINO)CYCLOHEXYL .BETA.-D-GLUCOPYRANOSIDE
- 1L-(1,3,4/2,6)-2,3-DIHYDROXY-6-HYDROXYMETHYL-4- ((1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-HYDROXYMETHYLCYCLOHEX-2- ENYLAMINO)CYCLOHEXYL .BETA.-D-GLUCOPYRANOSIDE
- 1l-(1,3,4/2,6)-2,3-dihydroxy-6-hydroxymethyl-4-((1S,4R,5S,6S)-4,5,6-trihydroxy-3-hydroxymethylcyclohex-2-enylamino)cyclohexyl I2-D-glucopyranoside
- 58194-43-7
- 609-372-4
- D-1,5,6-TRIDEOXY-3-O-.BETA.-D-GLUCOPYRANOSYL-5- (HYDROXYMETHYL)-1-((4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2- CYCLOHEXEN-1-YL)AMINO)-D-CHIROINOSITOL
- D-1,5,6-Trideoxy-3-O-b-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-D-chiroinositol
- D-1,5,6-Trideoxy-3-O-I2-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-D-chiroinositol
- D-CHIRO-INOSITOL, 1,5,6-TRIDEOXY-3-O-.BETA.-D-GLUCOPYRANOSYL- 5-(HYDROXYMETHYL)-1-((4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2- CYCLOHEXEN-1-YL)AMINO)-, (1S-(1-.ALPHA.,4-.ALPHA.,5-.BETA.,6- .ALPHA.))-
- D-CHIRO-INOSITOL, 1,5,6-TRIDEOXY-3-O-.BETA.-D-GLUCOPYRANOSYL-5-(HYDROXYMETHYL)-1-((4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2-CYCLOHEXEN-1-YL)AMINO)-, (1S-(1-.ALPHA.,4-.ALPHA.,5-.BETA.,6-.ALPHA.))-
- D-CHIRO-INOSITOL, 1,5,6-TRIDEOXY-4-O-BETA-D-GLUCOPYRANOSYL-5-(HYDROXYMETHYL)-1-((4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)-2-CYCLOHEXEN-1-YL)AMINO)-, (1S-(1ALPHA,4ALPHA,5BETA,6ALPHA))-
- D1,5,6Trideoxy3ObetaDglucopyranosyl5(hydroxymethyl)1((4,5,6trihydroxy3(hydroxymethyl)2cyclohexen1yl)amino)Dchiroinositol
-
Solubility @25˚C
Solvent Solubility (g/L) ethanol 1.41 methanol 4.1 isopropanol 0.25 water 44.19 ethyl acetate 0.13 n-propanol 0.44 acetone 0.4 n-butanol 0.3 acetonitrile 0.15 DMF 7.1 toluene 0.08 isobutanol 0.12 1,4-dioxane 0.92 methyl acetate 0.11 THF 0.9 2-butanone 0.21 n-pentanol 0.12 sec-butanol 0.16 n-hexane 0.01 ethylene glycol 11.93 NMP 12.02 cyclohexane 0.05 DMSO 41.08 n-butyl acetate 0.05 n-octanol 0.14 chloroform 0.04 n-propyl acetate 0.04 acetic acid 7.67 dichloromethane 0.05 cyclohexanone 0.55 propylene glycol 4.93 isopropyl acetate 0.08 DMAc 6.28 2-ethoxyethanol 2.2 isopentanol 0.11 n-heptane 0.04 ethyl formate 0.22 1,2-dichloroethane 0.06 n-hexanol 0.15 2-methoxyethanol 9.36 isobutyl acetate 0.02 tetrachloromethane 0.02 n-pentyl acetate 0.1 transcutol 3.82 n-heptanol 0.23 ethylbenzene 0.03 MIBK 0.09 2-propoxyethanol 1.61 tert-butanol 0.11 MTBE 0.04 2-butoxyethanol 1.33 propionic acid 0.73 o-xylene 0.08 formic acid 68.14 diethyl ether 0.13 m-xylene 0.07 p-xylene 0.02 chlorobenzene 0.02 dimethyl carbonate 0.61 n-octane 0.02 formamide 38.71 cyclopentanone 0.91 2-pentanone 0.22 anisole 0.06 cyclopentyl methyl ether 0.39 gamma-butyrolactone 1.09 1-methoxy-2-propanol 3.54 pyridine 0.49 3-pentanone 0.19 furfural 1.96 n-dodecane 0.01 diethylene glycol 6.1 diisopropyl ether 0.03 tert-amyl alcohol 0.11 acetylacetone 0.52 n-hexadecane 0.01 acetophenone 0.14 methyl propionate 0.32 isopentyl acetate 0.03 trichloroethylene 0.09 n-nonanol 0.15 cyclohexanol 0.34 benzyl alcohol 0.22 2-ethylhexanol 0.06 isooctanol 0.11 dipropyl ether 0.13 1,2-dichlorobenzene 0.02 ethyl lactate 0.31 propylene carbonate 0.31 n-methylformamide 3.99 2-pentanol 0.13 n-pentane 0.02 1-propoxy-2-propanol 0.74 1-methoxy-2-propyl acetate 0.32 2-(2-methoxypropoxy) propanol 0.75 mesitylene 0.04 ε-caprolactone 0.54 p-cymene 0.03 epichlorohydrin 0.54 1,1,1-trichloroethane 0.01 2-aminoethanol 7.11 morpholine-4-carbaldehyde 9.11 sulfolane 6.24 2,2,4-trimethylpentane 0.01 2-methyltetrahydrofuran 0.26 n-hexyl acetate 0.1 isooctane 0.0 2-(2-butoxyethoxy)ethanol 1.66 sec-butyl acetate 0.03 tert-butyl acetate 0.08 decalin 0.01 glycerin 27.8 diglyme 2.4 acrylic acid 1.93 isopropyl myristate 0.03 n-butyric acid 0.56 acetyl acetate 0.15 di(2-ethylhexyl) phthalate 0.08 ethyl propionate 0.07 nitromethane 3.95 1,2-diethoxyethane 0.23 benzonitrile 0.06 trioctyl phosphate 0.07 1-bromopropane 0.03 gamma-valerolactone 3.63 n-decanol 0.1 triethyl phosphate 0.07 4-methyl-2-pentanol 0.05 propionitrile 0.06 vinylene carbonate 0.35 1,1,2-trichlorotrifluoroethane 3.51 DMS 0.16 cumene 0.02 2-octanol 0.1 2-hexanone 0.06 octyl acetate 0.07 limonene 0.05 1,2-dimethoxyethane 0.88 ethyl orthosilicate 0.07 tributyl phosphate 0.05 diacetone alcohol 0.59 N,N-dimethylaniline 0.1 acrylonitrile 0.17 aniline 0.27 1,3-propanediol 4.75 bromobenzene 0.01 dibromomethane 0.03 1,1,2,2-tetrachloroethane 0.1 2-methyl-cyclohexyl acetate 0.05 tetrabutyl urea 0.14 diisobutyl methanol 0.04 2-phenylethanol 0.17 styrene 0.03 dioctyl adipate 0.07 dimethyl sulfate 2.08 ethyl butyrate 0.06 methyl lactate 2.21 butyl lactate 0.3 diethyl carbonate 0.04 propanediol butyl ether 1.83 triethyl orthoformate 0.09 p-tert-butyltoluene 0.03 methyl 4-tert-butylbenzoate 0.34 morpholine 1.67 tert-butylamine 0.04 n-dodecanol 0.07 dimethoxymethane 2.28 ethylene carbonate 0.23 cyrene 2.07 2-ethoxyethyl acetate 0.27 2-ethylhexyl acetate 0.03 1,2,4-trichlorobenzene 0.03 4-methylpyridine 0.2 dibutyl ether 0.06 2,6-dimethyl-4-heptanol 0.04 DEF 0.91 dimethyl isosorbide 1.12 tetrachloroethylene 0.14 eugenol 0.48 triacetin 0.27 span 80 0.96 1,4-butanediol 1.13 1,1-dichloroethane 0.02 2-methyl-1-pentanol 0.06 methyl formate 2.02 2-methyl-1-butanol 0.13 n-decane 0.02 butyronitrile 0.06 3,7-dimethyl-1-octanol 0.05 1-chlorooctane 0.04 1-chlorotetradecane 0.01 n-nonane 0.02 undecane 0.01 tert-butylcyclohexane 0.0 cyclooctane 0.04 cyclopentanol 0.43 tetrahydropyran 0.3 tert-amyl methyl ether 0.07 2,5,8-trioxanonane 2.0 1-hexene 0.02 2-isopropoxyethanol 0.62 2,2,2-trifluoroethanol 4.18 methyl butyrate 0.09 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
|
Category 1
Products applied to the lips
|
No restriction |
Category 7A
Rinse-off products applied to the hair with some hand contact
|
No restriction |
|
Category 2
Products applied to the axillae
|
No restriction |
Category 7B
Leave-on products applied to the hair with some hand contact
|
No restriction |
|
Category 3
Products applied to the face/body using fingertips
|
No restriction |
Category 8
Products with significant anogenital exposure
|
No restriction |
|
Category 4
Products related to fine fragrance
|
No restriction |
Category 9
Products with body and hand exposure, primarily rinse off
|
No restriction |
|
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
|
No restriction |
Category 10A
Household care products with mostly hand contact
|
No restriction |
|
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
|
No restriction |
Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
|
No restriction |
|
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
|
No restriction |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
|
No restriction |
|
Category 5D
Baby Creams, baby Oils and baby talc
|
No restriction |
Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
|
No restriction |
|
Category 6
Products with oral and lip exposure
|
No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
|
No restriction |