3-Deazauridine

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  • Identifiers

    CAS number
    23205-42-7

    Molecular formula
    C10H13NO6

    SMILES
    C1=CN(C(=O)C=C1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 84.51%
    Bitter 20.92%
    Savory 20.06%
    Sweet 19.19%
    Milky 17.2%
    Burnt 16.72%
    Vanilla 16.45%
    Caramellic 15.82%
    Phenolic 15.54%
    Smoky 13.25%

     

    Flavor
    Bitter 74.97%
    Odorless 39.92%
    Sweet-like 26.38%
    Bland 25.7%
    Very mild 20.87%
    Mild 20.03%
    Cedarleaf 19.98%
    Very slight 19.71%
    Nitrile 19.39%
    Alkaline 19.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.8

    pKa est.
    5.3 (weak acid)

    Molecular weight
    243.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1321°C

    Flash point

    • 252.17 ˚C est.

  • Synonyms

    • 3-DEAZAURIDINE
    • 23205-42-7
    • 2(1H)-Pyridinone, 4-hydroxy-1-beta-D-ribofuranosyl-
    • DEAZAURIDINE
    • 263CU738ZY
    • DTXSID80945889
    • 2(1h)-pyridinone, 4-hydroxy-1-beta-d-ribofuranosyl
    • 3 DEAZAURIDINE
    • RefChem:501042
    • DTXCID201768449
    • 4-Hydroxy-1-(beta-D-Ribopentofuranosyl)-2-Pyridone
    • 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-3H-pyridine-2,4-dione
    • 245-488-8
    • NSC-126849
    • NSC126849
    • 3-Deazuridine
    • 4-Hydroxy-1-beta-D-ribofuranosyl-2(1H)-pyridinone
    • 1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-hydroxypyridin-2(1H)-one
    • EINECS 245-488-8
    • MFCD00006522
    • 4-Hydroxy-1-beta-D-ribofuranosyl-2(1H)-pyridone
    • 1-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-4-HYDROXYPYRIDIN-2-ONE
    • 2(1H)-Pyridone, 4-hydroxy-1-beta-D-ribofuranosyl-
    • 3-Deaza-xylouridine
    • 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-hydroxy-pyridin-2-one
    • 2(1H)-Pyridinone, 4-hydroxy-1-|A-D-ribofuranosyl-
    • UNII-263CU738ZY
    • bmse001022
    • SCHEMBL352974
    • CHEMBL491887
    • orb1303896
    • SCHEMBL16179302
    • CHEBI:183851
    • AKOS027327918
    • ND16524
    • PD064029
    • TS-08854
    • 1-?-D-Ribofuranosyl-4-hydroxy-2-pyridone
    • NS00050803
    • F12665
    • 4-Hydroxy-1-?-D-ribofuranosyl-2(1H)-pyridinone
    • A900718
    • F803536
    • 2(1H)-Pyridinone, 4-hydroxy-1-b-D-ribofuranosyl-
    • 4-Hydroxy-1-beta-D-ribofuranosylpyridin-2(1H)-one
    • Q27254037
    • 2(1H)-Pyridinone, 4-hydroxy-1-beta-D-ribofuranosyl- (9CI)
    • 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-4-hydroxypyridin-2(1H)-one
    • 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-4-hydroxypyridin-2(1H)-one;4-Hydroxy-1-?-D-ribofuranosyl-2(1H)pyridone
    • 23205-42-7

  • Applications

    3-Deazauridine, CAS 23205-42-7, is primarily used in pharmaceutical and biochemical research as a nucleoside analogue scaffold and a building block for the synthesis of nucleoside derivatives evaluated in antiviral and anticancer drug discovery; it also serves as a biochemical probe in enzymology and nucleic acid metabolism studies, aiding assessments of mechanisms and SAR exploration; in medicinal chemistry it supports library generation and optimization of nucleoside analogue activity; and it is employed as a research reagent for education and method development in nucleoside chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.37
    methanol 33.75
    isopropanol 2.86
    water 263.36
    ethyl acetate 0.39
    n-propanol 2.45
    acetone 1.6
    n-butanol 2.25
    acetonitrile 1.03
    DMF 377.64
    toluene 0.31
    isobutanol 1.23
    1,4-dioxane 4.05
    methyl acetate 0.53
    THF 9.04
    2-butanone 1.07
    n-pentanol 1.11
    sec-butanol 1.92
    n-hexane 0.06
    ethylene glycol 89.09
    NMP 232.34
    cyclohexane 0.3
    DMSO 558.7
    n-butyl acetate 0.68
    n-octanol 1.05
    chloroform 0.12
    n-propyl acetate 0.52
    acetic acid 36.59
    dichloromethane 0.15
    cyclohexanone 6.36
    propylene glycol 41.85
    isopropyl acetate 0.5
    DMAc 168.47
    2-ethoxyethanol 25.68
    isopentanol 1.98
    n-heptane 0.28
    ethyl formate 1.66
    1,2-dichloroethane 0.26
    n-hexanol 1.72
    2-methoxyethanol 85.51
    isobutyl acetate 0.26
    tetrachloromethane 0.14
    n-pentyl acetate 0.65
    transcutol 19.97
    n-heptanol 1.68
    ethylbenzene 0.21
    MIBK 1.23
    2-propoxyethanol 14.42
    tert-butanol 4.28
    MTBE 0.51
    2-butoxyethanol 7.95
    propionic acid 4.89
    o-xylene 0.59
    formic acid 550.44
    diethyl ether 0.44
    m-xylene 0.47
    p-xylene 0.28
    chlorobenzene 0.13
    dimethyl carbonate 3.57
    n-octane 0.12
    formamide 441.52
    cyclopentanone 8.94
    2-pentanone 1.12
    anisole 0.77
    cyclopentyl methyl ether 2.89
    gamma-butyrolactone 13.74
    1-methoxy-2-propanol 39.09
    pyridine 2.54
    3-pentanone 0.88
    furfural 21.6
    n-dodecane 0.07
    diethylene glycol 46.35
    diisopropyl ether 0.24
    tert-amyl alcohol 3.19
    acetylacetone 3.02
    n-hexadecane 0.08
    acetophenone 2.01
    methyl propionate 1.49
    isopentyl acetate 0.76
    trichloroethylene 0.47
    n-nonanol 1.12
    cyclohexanol 4.3
    benzyl alcohol 2.45
    2-ethylhexanol 1.03
    isooctanol 1.19
    dipropyl ether 1.08
    1,2-dichlorobenzene 0.23
    ethyl lactate 5.22
    propylene carbonate 5.17
    n-methylformamide 102.49
    2-pentanol 1.23
    n-pentane 0.09
    1-propoxy-2-propanol 8.07
    1-methoxy-2-propyl acetate 3.31
    2-(2-methoxypropoxy) propanol 9.61
    mesitylene 0.44
    ε-caprolactone 6.07
    p-cymene 0.52
    epichlorohydrin 4.3
    1,1,1-trichloroethane 0.12
    2-aminoethanol 57.1
    morpholine-4-carbaldehyde 98.35
    sulfolane 87.39
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 2.42
    n-hexyl acetate 0.9
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 11.3
    sec-butyl acetate 0.34
    tert-butyl acetate 1.09
    decalin 0.08
    glycerin 167.06
    diglyme 19.66
    acrylic acid 13.15
    isopropyl myristate 0.5
    n-butyric acid 3.86
    acetyl acetate 0.64
    di(2-ethylhexyl) phthalate 1.31
    ethyl propionate 0.66
    nitromethane 32.61
    1,2-diethoxyethane 1.25
    benzonitrile 1.12
    trioctyl phosphate 1.16
    1-bromopropane 0.13
    gamma-valerolactone 33.05
    n-decanol 0.87
    triethyl phosphate 1.54
    4-methyl-2-pentanol 0.96
    propionitrile 0.71
    vinylene carbonate 4.76
    1,1,2-trichlorotrifluoroethane 36.32
    DMS 1.28
    cumene 0.2
    2-octanol 0.81
    2-hexanone 0.71
    octyl acetate 0.76
    limonene 0.77
    1,2-dimethoxyethane 14.97
    ethyl orthosilicate 1.26
    tributyl phosphate 1.06
    diacetone alcohol 9.09
    N,N-dimethylaniline 1.44
    acrylonitrile 2.12
    aniline 1.47
    1,3-propanediol 37.26
    bromobenzene 0.08
    dibromomethane 0.09
    1,1,2,2-tetrachloroethane 0.66
    2-methyl-cyclohexyl acetate 1.32
    tetrabutyl urea 2.72
    diisobutyl methanol 0.87
    2-phenylethanol 2.31
    styrene 0.17
    dioctyl adipate 1.19
    dimethyl sulfate 18.52
    ethyl butyrate 1.04
    methyl lactate 18.16
    butyl lactate 3.13
    diethyl carbonate 0.83
    propanediol butyl ether 10.6
    triethyl orthoformate 1.47
    p-tert-butyltoluene 0.5
    methyl 4-tert-butylbenzoate 4.14
    morpholine 11.33
    tert-butylamine 1.09
    n-dodecanol 0.66
    dimethoxymethane 20.99
    ethylene carbonate 3.07
    cyrene 25.16
    2-ethoxyethyl acetate 1.18
    2-ethylhexyl acetate 0.57
    1,2,4-trichlorobenzene 0.39
    4-methylpyridine 1.92
    dibutyl ether 0.55
    2,6-dimethyl-4-heptanol 0.87
    DEF 11.6
    dimethyl isosorbide 14.84
    tetrachloroethylene 0.71
    eugenol 5.81
    triacetin 2.45
    span 80 7.15
    1,4-butanediol 15.22
    1,1-dichloroethane 0.08
    2-methyl-1-pentanol 0.94
    methyl formate 30.28
    2-methyl-1-butanol 1.59
    n-decane 0.13
    butyronitrile 0.69
    3,7-dimethyl-1-octanol 0.9
    1-chlorooctane 0.24
    1-chlorotetradecane 0.12
    n-nonane 0.12
    undecane 0.09
    tert-butylcyclohexane 0.04
    cyclooctane 0.16
    cyclopentanol 5.08
    tetrahydropyran 1.87
    tert-amyl methyl ether 0.89
    2,5,8-trioxanonane 17.38
    1-hexene 0.12
    2-isopropoxyethanol 7.35
    2,2,2-trifluoroethanol 30.66
    methyl butyrate 1.28

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
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