ChemSpider 2D Image | 28-O-β-D-Glucopyranosyl pomolic acid | C36H58O9

28-O-β-D-Glucopyranosyl pomolic acid

  • Molecular FormulaC36H58O9
  • Average mass634.840 Da
  • Monoisotopic mass634.408081 Da
  • ChemSpider ID28424515

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

1-O-[(3β)-3,19-Dihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(3β)-3,19-Dihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(3β)-3,19-Dihydroxy-28-oxours-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
28-O-β-D-Glucopyranosyl pomolic acid
83725-24-0 [RN]
β-D-Glucopyranose, 1-O-[(3β)-3,19-dihydroxy-28-oxours-12-en-28-yl]- [ACD/Index Name]
[83725-24-0] [RN]
MFCD17214904
Pomolic acid 28-O-β-D-glucopyranosyl ester
Pomolic acid 28-O-β-D-glucopyranosyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 726.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.4 mmHg at 25°C
    Enthalpy of Vaporization: 121.2±6.0 kJ/mol
    Flash Point: 219.1±26.4 °C
    Index of Refraction: 1.595
    Molar Refractivity: 168.8±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 6
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 3
    ACD/LogP: 6.73
    ACD/LogD (pH 5.5): 5.75
    ACD/BCF (pH 5.5): 13889.43
    ACD/KOC (pH 5.5): 32130.78
    ACD/LogD (pH 7.4): 5.75
    ACD/BCF (pH 7.4): 13889.25
    ACD/KOC (pH 7.4): 32130.36
    Polar Surface Area: 157 Å2
    Polarizability: 66.9±0.5 10-24cm3
    Surface Tension: 60.3±5.0 dyne/cm
    Molar Volume: 496.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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