ChemSpider 2D Image | (2S,3S)-2-(3,5-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl beta-D-glucopyranoside | C21H22O12

(2S,3S)-2-(3,5-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl β-D-glucopyranoside

  • Molecular FormulaC21H22O12
  • Average mass466.392 Da
  • Monoisotopic mass466.111115 Da
  • ChemSpider ID35293804

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3S)-2-(3,5-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2S,3S)-2-(3,5-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,5-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-2,3-dihydro-5,7-dihydroxy-, (2S,3S)- [ACD/Index Name]
β-D-Glucopyranoside de (2S,3S)-2-(3,5-dihydroxyphényl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
(2S,3S)-(-)-Glucodistylin
[129212-92-6] [RN]
129212-92-6 [RN]
MFCD20274682

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 861.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 131.1±3.0 kJ/mol
    Flash Point: 302.7±27.8 °C
    Index of Refraction: 1.774
    Molar Refractivity: 106.5±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 8
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: -0.48
    ACD/LogD (pH 5.5): -0.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 19.74
    ACD/LogD (pH 7.4): -0.67
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.82
    Polar Surface Area: 207 Å2
    Polarizability: 42.2±0.5 10-24cm3
    Surface Tension: 127.5±5.0 dyne/cm
    Molar Volume: 255.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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