[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3-hydroxy-3-methyl-N-sulfooxy-butanimidothioate

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  • Identifiers

    CAS number
    28463-28-7

    Molecular formula
    C11H21NO10S2

    SMILES
    CC(C)(CC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 74.94%
    Savory 31.53%
    Meaty 30.15%
    Roasted 23.24%
    Sulfurous 22.88%
    Cooked 20.15%
    Cooling 16.89%
    Milky 14.32%
    Onion 13.89%
    Clean 12.85%

     

    Flavor
    Bitter 86.92%
    Odorless 28.73%
    Bland 27.53%
    Sweet-like 21.53%
    Cedarleaf 20.39%
    Mild 19.67%
    Nitrile 18.93%
    Heather 18.72%
    Bouillon 18.69%
    Broom 18.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.9

    pKa est.
    6.46 (neutral)

    Molecular weight
    391.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1834°C

    Flash point

    • 241.3 ˚C est.

  • Synonyms

    • 28463-28-7
    • Glucoconringiin
    • 2-Hydroxy-2-methylpropyl glucosinolate
    • orb2645979
    • SCHEMBL30484236
    • DTXSID40951108
    • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-3-methyl-N-sulfooxybutanimidothioate
    • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3-hydroxy-3-methyl-N-sulfooxy-butanimidothioate
    • NS00094488
    • C08408
    • 1-S-[3-Hydroxy-3-methyl-N-(sulfooxy)butanimidoyl]-1-thiohexopyranose
    • 3-hydroxy-3-methyl-N-sulfoxy-thiobutyrimidic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
    • 28463-28-7

  • Applications

    Chemical name [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3-hydroxy-3-methyl-N-sulfooxy-butanimidothioate (CAS 28463-28-7) is typically used as an intermediate and chiral building block in chemical synthesis. It may serve as a precursor for glycosylated or sulfur-containing compounds in pharmaceutical and agrochemical development, enabling stereocontrolled couplings and protecting-group strategies. It can be employed as a functionalized sugar-based reagent or crosslinking intermediate in polymer and coating formulations, and may be explored as a specialty reagent for derivatization or analytical standards in research and manufacturing, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.62
    methanol 59.0
    isopropanol 2.33
    water 25.84
    ethyl acetate 0.29
    n-propanol 4.41
    acetone 4.02
    n-butanol 1.8
    acetonitrile 0.94
    DMF 83.73
    toluene 0.17
    isobutanol 1.27
    1,4-dioxane 0.88
    methyl acetate 0.58
    THF 4.49
    2-butanone 1.32
    n-pentanol 0.8
    sec-butanol 1.22
    n-hexane 0.03
    ethylene glycol 37.27
    NMP 71.29
    cyclohexane 0.07
    DMSO 188.74
    n-butyl acetate 0.45
    n-octanol 0.55
    chloroform 0.41
    n-propyl acetate 0.32
    acetic acid 44.85
    dichloromethane 0.59
    cyclohexanone 2.32
    propylene glycol 29.04
    isopropyl acetate 0.22
    DMAc 33.23
    2-ethoxyethanol 10.65
    isopentanol 0.81
    n-heptane 0.08
    ethyl formate 2.21
    1,2-dichloroethane 0.58
    n-hexanol 0.99
    2-methoxyethanol 52.43
    isobutyl acetate 0.14
    tetrachloromethane 0.13
    n-pentyl acetate 0.39
    transcutol 9.58
    n-heptanol 0.84
    ethylbenzene 0.09
    MIBK 0.58
    2-propoxyethanol 9.01
    tert-butanol 1.33
    MTBE 0.14
    2-butoxyethanol 4.69
    propionic acid 5.53
    o-xylene 0.19
    formic acid 257.89
    diethyl ether 0.26
    m-xylene 0.15
    p-xylene 0.1
    chlorobenzene 0.1
    dimethyl carbonate 1.82
    n-octane 0.03
    formamide 199.32
    cyclopentanone 5.67
    2-pentanone 1.03
    anisole 0.28
    cyclopentyl methyl ether 0.9
    gamma-butyrolactone 7.6
    1-methoxy-2-propanol 17.6
    pyridine 1.64
    3-pentanone 0.65
    furfural 14.23
    n-dodecane 0.02
    diethylene glycol 22.76
    diisopropyl ether 0.06
    tert-amyl alcohol 0.96
    acetylacetone 2.0
    n-hexadecane 0.02
    acetophenone 0.82
    methyl propionate 1.02
    isopentyl acetate 0.35
    trichloroethylene 1.16
    n-nonanol 0.54
    cyclohexanol 0.99
    benzyl alcohol 1.17
    2-ethylhexanol 0.39
    isooctanol 0.46
    dipropyl ether 0.37
    1,2-dichlorobenzene 0.14
    ethyl lactate 2.17
    propylene carbonate 2.45
    n-methylformamide 52.08
    2-pentanol 0.58
    n-pentane 0.05
    1-propoxy-2-propanol 3.94
    1-methoxy-2-propyl acetate 1.22
    2-(2-methoxypropoxy) propanol 4.42
    mesitylene 0.11
    ε-caprolactone 2.08
    p-cymene 0.16
    epichlorohydrin 3.61
    1,1,1-trichloroethane 0.14
    2-aminoethanol 40.32
    morpholine-4-carbaldehyde 27.78
    sulfolane 38.3
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 0.9
    n-hexyl acetate 0.46
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.58
    sec-butyl acetate 0.13
    tert-butyl acetate 0.35
    decalin 0.02
    glycerin 86.34
    diglyme 8.16
    acrylic acid 12.29
    isopropyl myristate 0.16
    n-butyric acid 3.46
    acetyl acetate 0.32
    di(2-ethylhexyl) phthalate 0.62
    ethyl propionate 0.29
    nitromethane 26.42
    1,2-diethoxyethane 0.42
    benzonitrile 0.46
    trioctyl phosphate 0.51
    1-bromopropane 0.18
    gamma-valerolactone 16.09
    n-decanol 0.37
    triethyl phosphate 0.42
    4-methyl-2-pentanol 0.29
    propionitrile 0.58
    vinylene carbonate 2.75
    1,1,2-trichlorotrifluoroethane 22.13
    DMS 0.56
    cumene 0.08
    2-octanol 0.32
    2-hexanone 0.48
    octyl acetate 0.31
    limonene 0.25
    1,2-dimethoxyethane 5.14
    ethyl orthosilicate 0.33
    tributyl phosphate 0.47
    diacetone alcohol 3.52
    N,N-dimethylaniline 0.5
    acrylonitrile 1.9
    aniline 0.7
    1,3-propanediol 21.63
    bromobenzene 0.06
    dibromomethane 0.31
    1,1,2,2-tetrachloroethane 0.97
    2-methyl-cyclohexyl acetate 0.52
    tetrabutyl urea 1.29
    diisobutyl methanol 0.23
    2-phenylethanol 1.13
    styrene 0.09
    dioctyl adipate 0.45
    dimethyl sulfate 6.75
    ethyl butyrate 0.41
    methyl lactate 8.51
    butyl lactate 1.97
    diethyl carbonate 0.29
    propanediol butyl ether 6.99
    triethyl orthoformate 0.42
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 2.02
    morpholine 2.98
    tert-butylamine 0.39
    n-dodecanol 0.24
    dimethoxymethane 10.51
    ethylene carbonate 1.24
    cyrene 11.73
    2-ethoxyethyl acetate 0.67
    2-ethylhexyl acetate 0.23
    1,2,4-trichlorobenzene 0.24
    4-methylpyridine 0.79
    dibutyl ether 0.15
    2,6-dimethyl-4-heptanol 0.23
    DEF 2.92
    dimethyl isosorbide 7.03
    tetrachloroethylene 1.03
    eugenol 3.29
    triacetin 1.16
    span 80 3.83
    1,4-butanediol 5.67
    1,1-dichloroethane 0.15
    2-methyl-1-pentanol 0.44
    methyl formate 25.15
    2-methyl-1-butanol 0.9
    n-decane 0.04
    butyronitrile 0.47
    3,7-dimethyl-1-octanol 0.32
    1-chlorooctane 0.1
    1-chlorotetradecane 0.04
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.04
    cyclopentanol 2.06
    tetrahydropyran 0.51
    tert-amyl methyl ether 0.22
    2,5,8-trioxanonane 7.14
    1-hexene 0.08
    2-isopropoxyethanol 2.4
    2,2,2-trifluoroethanol 14.66
    methyl butyrate 0.62

    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