(2S)-5-carbamimidamido-2-({[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl}amino)pentanoic acid

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  • Identifiers

    CAS number
    162966-07-6

    Molecular formula
    C12H24N4O7

    SMILES
    C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCCN=C(N)N)C(=O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 74.8%
    Savory 32.03%
    Fishy 31.16%
    Sweet 28.65%
    Cooling 23.71%
    Meaty 20.99%
    Alcoholic 15.63%
    Milky 14.2%
    Cooked 13.75%
    Bitter 13.72%

     

    Flavor
    Bitter 58.08%
    Odorless 58.02%
    Bland 32.07%
    Sweet-like 26.91%
    Mild 26.78%
    Very mild 20.2%
    Yeast 19.85%
    Nitrile 19.68%
    Bouillon 19.39%
    Alkaline 19.36%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -6.1

    pKa est.
    6.99 (neutral)

    Molecular weight
    336.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1653°C

    Flash point

    • 268.32 ˚C est.

  • Synonyms

    • DTXSID001245580
    • (2S)-5-carbamimidamido-2-({[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl}amino)pentanoic acid
    • N2-(1-Deoxy-I(2)-D-fructopyranos-1-yl)-L-arginine
    • 162966-07-6
    • 162966-07-6

  • Applications

    For the compound (2S)-5-carbamimidamido-2-({[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl}amino)pentanoic acid (CAS 162966-07-6), typical real-world applications include as a pharmaceutical research building block for glycosylated amino acids and glycopeptides; a chiral scaffold in the synthesis of peptidomimetics and carbohydrate-containing drug candidates; a precursor or monomer in polymer and materials science for glycopolymers and biomaterials; and an analytical reference material or synthetic intermediate in carbohydrate-derivative chemistry, with potential for conjugation to small molecules or peptides to modulate hydrophilicity and binding interactions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.23
    methanol 0.98
    isopropanol 0.09
    water 197.9
    ethyl acetate 0.07
    n-propanol 0.14
    acetone 0.09
    n-butanol 0.11
    acetonitrile 0.07
    DMF 5.35
    toluene 0.08
    isobutanol 0.07
    1,4-dioxane 0.14
    methyl acetate 0.05
    THF 0.23
    2-butanone 0.09
    n-pentanol 0.06
    sec-butanol 0.1
    n-hexane 0.05
    ethylene glycol 4.11
    NMP 12.83
    cyclohexane 0.08
    DMSO 34.36
    n-butyl acetate 0.03
    n-octanol 0.04
    chloroform 0.04
    n-propyl acetate 0.03
    acetic acid 2.75
    dichloromethane 0.07
    cyclohexanone 0.32
    propylene glycol 1.89
    isopropyl acetate 0.04
    DMAc 5.74
    2-ethoxyethanol 0.65
    isopentanol 0.06
    n-heptane 0.07
    ethyl formate 0.11
    1,2-dichloroethane 0.05
    n-hexanol 0.09
    2-methoxyethanol 2.4
    isobutyl acetate 0.01
    tetrachloromethane 0.04
    n-pentyl acetate 0.03
    transcutol 0.9
    n-heptanol 0.09
    ethylbenzene 0.04
    MIBK 0.06
    2-propoxyethanol 0.65
    tert-butanol 0.07
    MTBE 0.03
    2-butoxyethanol 0.39
    propionic acid 0.39
    o-xylene 0.12
    formic acid 61.63
    diethyl ether 0.07
    m-xylene 0.08
    p-xylene 0.05
    chlorobenzene 0.02
    dimethyl carbonate 0.33
    n-octane 0.03
    formamide 24.87
    cyclopentanone 0.39
    2-pentanone 0.12
    anisole 0.04
    cyclopentyl methyl ether 0.28
    gamma-butyrolactone 0.53
    1-methoxy-2-propanol 1.22
    pyridine 0.22
    3-pentanone 0.15
    furfural 1.27
    n-dodecane 0.01
    diethylene glycol 2.63
    diisopropyl ether 0.03
    tert-amyl alcohol 0.1
    acetylacetone 0.21
    n-hexadecane 0.01
    acetophenone 0.1
    methyl propionate 0.2
    isopentyl acetate 0.02
    trichloroethylene 0.09
    n-nonanol 0.05
    cyclohexanol 0.27
    benzyl alcohol 0.12
    2-ethylhexanol 0.05
    isooctanol 0.06
    dipropyl ether 0.12
    1,2-dichlorobenzene 0.02
    ethyl lactate 0.22
    propylene carbonate 0.21
    n-methylformamide 2.5
    2-pentanol 0.09
    n-pentane 0.05
    1-propoxy-2-propanol 0.37
    1-methoxy-2-propyl acetate 0.15
    2-(2-methoxypropoxy) propanol 0.34
    mesitylene 0.06
    ε-caprolactone 0.27
    p-cymene 0.04
    epichlorohydrin 0.18
    1,1,1-trichloroethane 0.02
    2-aminoethanol 2.15
    morpholine-4-carbaldehyde 3.89
    sulfolane 5.91
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.12
    n-hexyl acetate 0.03
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 0.47
    sec-butyl acetate 0.02
    tert-butyl acetate 0.05
    decalin 0.02
    glycerin 17.0
    diglyme 0.9
    acrylic acid 1.11
    isopropyl myristate 0.01
    n-butyric acid 0.32
    acetyl acetate 0.06
    di(2-ethylhexyl) phthalate 0.04
    ethyl propionate 0.05
    nitromethane 1.44
    1,2-diethoxyethane 0.07
    benzonitrile 0.04
    trioctyl phosphate 0.04
    1-bromopropane 0.03
    gamma-valerolactone 1.21
    n-decanol 0.04
    triethyl phosphate 0.07
    4-methyl-2-pentanol 0.04
    propionitrile 0.04
    vinylene carbonate 0.22
    1,1,2-trichlorotrifluoroethane 2.61
    DMS 0.08
    cumene 0.03
    2-octanol 0.05
    2-hexanone 0.04
    octyl acetate 0.02
    limonene 0.05
    1,2-dimethoxyethane 0.38
    ethyl orthosilicate 0.07
    tributyl phosphate 0.03
    diacetone alcohol 0.37
    N,N-dimethylaniline 0.12
    acrylonitrile 0.11
    aniline 0.18
    1,3-propanediol 1.24
    bromobenzene 0.01
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.1
    2-methyl-cyclohexyl acetate 0.04
    tetrabutyl urea 0.09
    diisobutyl methanol 0.04
    2-phenylethanol 0.09
    styrene 0.03
    dioctyl adipate 0.02
    dimethyl sulfate 1.88
    ethyl butyrate 0.05
    methyl lactate 1.36
    butyl lactate 0.13
    diethyl carbonate 0.03
    propanediol butyl ether 0.43
    triethyl orthoformate 0.07
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 0.2
    morpholine 0.32
    tert-butylamine 0.04
    n-dodecanol 0.03
    dimethoxymethane 1.0
    ethylene carbonate 0.13
    cyrene 1.09
    2-ethoxyethyl acetate 0.07
    2-ethylhexyl acetate 0.02
    1,2,4-trichlorobenzene 0.03
    4-methylpyridine 0.13
    dibutyl ether 0.03
    2,6-dimethyl-4-heptanol 0.04
    DEF 0.69
    dimethyl isosorbide 0.61
    tetrachloroethylene 0.15
    eugenol 0.27
    triacetin 0.09
    span 80 0.32
    1,4-butanediol 0.39
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.04
    methyl formate 1.07
    2-methyl-1-butanol 0.09
    n-decane 0.02
    butyronitrile 0.04
    3,7-dimethyl-1-octanol 0.02
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.05
    cyclopentanol 0.27
    tetrahydropyran 0.11
    tert-amyl methyl ether 0.07
    2,5,8-trioxanonane 0.83
    1-hexene 0.05
    2-isopropoxyethanol 0.21
    2,2,2-trifluoroethanol 2.71
    methyl butyrate 0.07

    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