ChemSpider 2D Image | 2-O-a-D-Glucopyranosyl-L-ascorbic acid | C12H18O11

2-O-a-D-Glucopyranosyl-L-ascorbic acid

  • Molecular FormulaC12H18O11
  • Average mass338.265 Da
  • Monoisotopic mass338.084900 Da
  • ChemSpider ID27473003

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5R)-5-[(1R)-1,2-Dihydroxyethyl]-4-hydroxy-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2(5H)-furanon [German] [ACD/IUPAC Name]
(5R)-5-[(1R)-1,2-Dihydroxyethyl]-4-hydroxy-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2(5H)-furanone [ACD/IUPAC Name]
(5R)-5-[(1R)-1,2-Dihydroxyéthyl]-4-hydroxy-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-2(5H)-furanone [French] [ACD/IUPAC Name]
129499-78-1 [RN]
2-O-a-D-Glucopyranosyl-L-ascorbic acid
2-O-?-D-Glucopyranosyl-L-threo-hex-1-enofuranos-3-ulose
2-O-α-D-Glucopyranosyl-L-ascorbic acid
Ascorbyl glucoside
Ascorbyl glucosideAA-2GMFCD00925623
Ascorbylglucoside
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 785.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±6.2 mmHg at 25°C
    Enthalpy of Vaporization: 130.2±6.0 kJ/mol
    Flash Point: 296.5±26.4 °C
    Index of Refraction: 1.670
    Molar Refractivity: 68.9±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 7
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: -2.57
    ACD/LogD (pH 5.5): -4.70
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -6.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 186 Å2
    Polarizability: 27.3±0.5 10-24cm3
    Surface Tension: 114.2±5.0 dyne/cm
    Molar Volume: 184.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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