alpha-L-Fucp-(1->2)-(alpha-D-GalpNAc-(1->3))-beta-D-Galp-(1->3)-(alpha-L-Fucp-(1->4))-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-Glcp

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  • Identifiers

    CAS number
    76472-96-3

    Molecular formula
    C46H78N2O34

    SMILES
    C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)NC(=O)C)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O[C@@H]7[C@H](OC([C@@H]([C@H]7O)O)O)CO)CO)O)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 79.39%
    Sweet 31.83%
    Savory 22.84%
    Alcoholic 19.42%
    Cooling 18.38%
    Milky 17.38%
    Bitter 14.04%
    Caramellic 13.89%
    Meaty 13.33%
    Fishy 12.88%

     

    Flavor
    Sweet 56.68%
    Odorless 51.25%
    Bitter 48.75%
    Sweet-like 32.63%
    Fatty 26.97%
    Bland 23.87%
    Cauliflower 21.65%
    Very slight 21.36%
    Very mild 21.3%
    Alkaline 20.61%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -12.3

    pKa est.
    -0.87 (strong acid)

    Molecular weight
    1203.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    4006°C

    Flash point

    • 182.57 ˚C est.

  • Synonyms

    • CHEBI:62673
    • alpha-L-Fucp-(1->2)-[alpha-D-GalpNAc-(1->3)]-beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-Glcp
    • 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
    • 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-(alpha-L-fucopyranosyl-(1->2))-beta-D-galactopyranosyl-(1->3)-(alpha-L-fucopyranosyl-(1->4))-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
    • alpha-L-Fucp-(1->2)-(alpha-D-GalpNAc-(1->3))-beta-D-Galp-(1->3)-(alpha-L-Fucp-(1->4))-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-Glcp
    • RefChem:936564
    • GlyTouCan:G13040AD
    • G13040AD
    • Blood group type 1 chain ALe(b)
    • Fucalpha1->2(GalNAcalpha1->3)Galbeta1->3(Fucalpha1->4)GlcNAcbeta1->3D-Galbeta1->4Glc
    • 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
    • alpha-L-Fuc-(1->2)-[alpha-D-GalNAc-(1->3)]-beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc
    • alpha-L-fucosyl-(1->2)-[N-acetyl-alpha-D-galactosaminyl-(1->3)]-beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-D-glucose
    • 76472-96-3
    • Lewis A heptasaccharide
    • a-Le-heptasaccharide
    • Epitope ID:150950
    • SCHEMBL29652031
    • OH03874
    • Q27132073
    • GalNAc(a-1,2-Fuc)-a-1,3-Gal(a-1,4-Fuc)-b-1,3-GlcNAc-b-1,3-Gal-b-1,4-Glc
    • D-Glucose,o-2-(acetylamino)-2-Deoxy-a-d-galactopyranosyl-(1(R)3)-O-[6-deoxy-a-L-galactopyranosyl-(1(R)2)]-O-b-D-galactopyranosyl-(1(R)3)-O-[6-deoxy-a-L-galactopyranosyl-(1(R)4)]-O-2-(acetylami
    • 76472-96-3

  • Applications

    alpha-L-Fucp-(1->2)-(alpha-D-GalpNAc-(1->3))-beta-D-Galp-(1->3)-(alpha-L-Fucp-(1->4))-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-Glcp; CAS number: 76472-96-3. In glycomics research and pharmaceutical development, it is primarily used as a research reagent: as an analytical standard for glycan profiling by LC-MS/HPLC, as a building block for the synthesis of defined glycopeptides or glycoproteins, as a substrate for enzymatic studies of glycosyltransferases and glycosidases, and as a tool in lectin-binding assays and glycan microarrays; it may also serve as a scaffold for neoglyconjugate synthesis or a reference material in glycan analysis, subject to formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.74
    methanol 17.93
    isopropanol 2.0
    water 3.32
    ethyl acetate 2.1
    n-propanol 2.86
    acetone 4.63
    n-butanol 1.7
    acetonitrile 1.78
    DMF 44.26
    toluene 0.47
    isobutanol 0.93
    1,4-dioxane 8.61
    methyl acetate 2.63
    THF 13.19
    2-butanone 3.0
    n-pentanol 0.95
    sec-butanol 1.35
    n-hexane 0.04
    ethylene glycol 11.3
    NMP 49.78
    cyclohexane 0.1
    DMSO 71.3
    n-butyl acetate 0.69
    n-octanol 0.87
    chloroform 1.08
    n-propyl acetate 0.83
    acetic acid 26.64
    dichloromethane 1.39
    cyclohexanone 4.19
    propylene glycol 9.56
    isopropyl acetate 1.05
    DMAc 43.51
    2-ethoxyethanol 11.56
    isopentanol 0.68
    n-heptane 0.09
    ethyl formate 3.14
    1,2-dichloroethane 1.07
    n-hexanol 0.55
    2-methoxyethanol 30.19
    isobutyl acetate 0.27
    tetrachloromethane 0.22
    n-pentyl acetate 1.16
    transcutol 15.62
    n-heptanol 0.93
    ethylbenzene 0.15
    MIBK 0.69
    2-propoxyethanol 6.8
    tert-butanol 0.83
    MTBE 0.53
    2-butoxyethanol 5.94
    propionic acid 4.98
    o-xylene 0.32
    formic acid 54.68
    diethyl ether 1.38
    m-xylene 0.24
    p-xylene 0.17
    chlorobenzene 0.29
    dimethyl carbonate 5.05
    n-octane 0.06
    formamide 48.01
    cyclopentanone 8.7
    2-pentanone 2.2
    anisole 0.54
    cyclopentyl methyl ether 2.51
    gamma-butyrolactone 13.13
    1-methoxy-2-propanol 14.46
    pyridine 4.58
    3-pentanone 1.75
    furfural 13.45
    n-dodecane 0.04
    diethylene glycol 11.85
    diisopropyl ether 0.19
    tert-amyl alcohol 0.76
    acetylacetone 4.18
    n-hexadecane 0.04
    acetophenone 1.02
    methyl propionate 3.67
    isopentyl acetate 0.39
    trichloroethylene 2.01
    n-nonanol 0.86
    cyclohexanol 1.21
    benzyl alcohol 1.19
    2-ethylhexanol 0.24
    isooctanol 0.48
    dipropyl ether 0.83
    1,2-dichlorobenzene 0.24
    ethyl lactate 1.94
    propylene carbonate 3.69
    n-methylformamide 20.54
    2-pentanol 0.78
    n-pentane 0.07
    1-propoxy-2-propanol 3.9
    1-methoxy-2-propyl acetate 2.43
    2-(2-methoxypropoxy) propanol 3.32
    mesitylene 0.13
    ε-caprolactone 4.96
    p-cymene 0.13
    epichlorohydrin 7.13
    1,1,1-trichloroethane 0.33
    2-aminoethanol 10.38
    morpholine-4-carbaldehyde 40.27
    sulfolane 28.96
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.29
    n-hexyl acetate 1.15
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.13
    sec-butyl acetate 0.43
    tert-butyl acetate 0.74
    decalin 0.02
    glycerin 29.03
    diglyme 12.0
    acrylic acid 9.67
    isopropyl myristate 0.29
    n-butyric acid 4.38
    acetyl acetate 1.74
    di(2-ethylhexyl) phthalate 0.48
    ethyl propionate 0.93
    nitromethane 27.8
    1,2-diethoxyethane 2.16
    benzonitrile 0.61
    trioctyl phosphate 0.43
    1-bromopropane 0.41
    gamma-valerolactone 26.96
    n-decanol 0.55
    triethyl phosphate 0.49
    4-methyl-2-pentanol 0.26
    propionitrile 0.97
    vinylene carbonate 4.02
    1,1,2-trichlorotrifluoroethane 16.84
    DMS 1.58
    cumene 0.08
    2-octanol 0.53
    2-hexanone 0.84
    octyl acetate 0.66
    limonene 0.21
    1,2-dimethoxyethane 8.91
    ethyl orthosilicate 0.45
    tributyl phosphate 0.37
    diacetone alcohol 2.92
    N,N-dimethylaniline 0.57
    acrylonitrile 2.2
    aniline 1.41
    1,3-propanediol 10.7
    bromobenzene 0.21
    dibromomethane 0.67
    1,1,2,2-tetrachloroethane 1.65
    2-methyl-cyclohexyl acetate 0.41
    tetrabutyl urea 0.92
    diisobutyl methanol 0.14
    2-phenylethanol 0.75
    styrene 0.18
    dioctyl adipate 0.71
    dimethyl sulfate 12.7
    ethyl butyrate 0.76
    methyl lactate 8.96
    butyl lactate 1.95
    diethyl carbonate 0.45
    propanediol butyl ether 6.65
    triethyl orthoformate 0.84
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 1.84
    morpholine 13.15
    tert-butylamine 0.26
    n-dodecanol 0.34
    dimethoxymethane 15.47
    ethylene carbonate 2.75
    cyrene 6.25
    2-ethoxyethyl acetate 2.96
    2-ethylhexyl acetate 0.32
    1,2,4-trichlorobenzene 0.41
    4-methylpyridine 2.45
    dibutyl ether 0.54
    2,6-dimethyl-4-heptanol 0.14
    DEF 6.61
    dimethyl isosorbide 4.75
    tetrachloroethylene 1.3
    eugenol 1.89
    triacetin 2.61
    span 80 3.43
    1,4-butanediol 3.71
    1,1-dichloroethane 0.54
    2-methyl-1-pentanol 0.41
    methyl formate 15.02
    2-methyl-1-butanol 0.79
    n-decane 0.08
    butyronitrile 0.84
    3,7-dimethyl-1-octanol 0.3
    1-chlorooctane 0.22
    1-chlorotetradecane 0.07
    n-nonane 0.08
    undecane 0.05
    tert-butylcyclohexane 0.02
    cyclooctane 0.05
    cyclopentanol 2.37
    tetrahydropyran 2.8
    tert-amyl methyl ether 0.67
    2,5,8-trioxanonane 7.67
    1-hexene 0.13
    2-isopropoxyethanol 3.72
    2,2,2-trifluoroethanol 13.76
    methyl butyrate 1.35

    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