ChemSpider 2D Image | Dimethyl (1S,4aS,7S,7aS)-1-(beta-D-glucopyranosyloxy)-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate | C18H24O12

Dimethyl (1S,4aS,7S,7aS)-1-(β-D-glucopyranosyloxy)-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate

  • Molecular FormulaC18H24O12
  • Average mass432.376 Da
  • Monoisotopic mass432.126770 Da
  • ChemSpider ID28424451

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,4aS,7S,7aS)-1-(β-D-Glucopyranosyloxy)-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyrane-4,7-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-4,7-dicarboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-oxo-, dimethyl ester, (1S,4aS,7S,7aS)- [ACD/Index Name]
Dimethyl (1S,4aS,7S,7aS)-1-(β-D-glucopyranosyloxy)-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(1S,4aS,7S,7aS)-1-(β-D-glucopyranosyloxy)-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylat [German] [ACD/IUPAC Name]
[71035-06-8] [RN]
71035-06-8 [RN]
Griselinoside
MFCD20260682

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 647.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.4 mmHg at 25°C
    Enthalpy of Vaporization: 109.3±6.0 kJ/mol
    Flash Point: 228.9±25.0 °C
    Index of Refraction: 1.591
    Molar Refractivity: 93.9±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: -2.82
    ACD/LogD (pH 5.5): -2.34
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.27
    ACD/LogD (pH 7.4): -2.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.27
    Polar Surface Area: 178 Å2
    Polarizability: 37.2±0.5 10-24cm3
    Surface Tension: 73.5±5.0 dyne/cm
    Molar Volume: 277.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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