ChemSpider 2D Image | 1-O-[(5beta,8alpha,9beta,10alpha)-6,11-Dihydroxy-15,18-dioxokaur-16-en-18-yl]-beta-D-glucopyranose | C26H38O10

1-O-[(5β,8α,9β,10α)-6,11-Dihydroxy-15,18-dioxokaur-16-en-18-yl]-β-D-glucopyranose

  • Molecular FormulaC26H38O10
  • Average mass510.574 Da
  • Monoisotopic mass510.246490 Da
  • ChemSpider ID35293793

  • defined stereocentres - 11 of 13 defined stereocentres

More details:

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

1-O-[(5β,8α,9β,10α)-6,11-Dihydroxy-15,18-dioxokaur-16-en-18-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α)-6,11-Dihydroxy-15,18-dioxokaur-16-en-18-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α)-6,11-Dihydroxy-15,18-dioxokaur-16-én-18-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
[81263-97-0] [RN]
81263-97-0 [RN]
ent-6,11-Dihydroxy-15-oxo-16-kauren-19-oic acid β-D-glucopyranosyl ester
MFCD20274653

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 713.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.2 mmHg at 25°C
    Enthalpy of Vaporization: 119.2±6.0 kJ/mol
    Flash Point: 236.9±26.4 °C
    Index of Refraction: 1.624
    Molar Refractivity: 124.5±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 6
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 3
    ACD/LogP: 0.06
    ACD/LogD (pH 5.5): 0.33
    ACD/BCF (pH 5.5): 1.04
    ACD/KOC (pH 5.5): 35.86
    ACD/LogD (pH 7.4): 0.33
    ACD/BCF (pH 7.4): 1.04
    ACD/KOC (pH 7.4): 35.86
    Polar Surface Area: 174 Å2
    Polarizability: 49.4±0.5 10-24cm3
    Surface Tension: 73.1±5.0 dyne/cm
    Molar Volume: 352.6±5.0 cm3

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