ChemSpider 2D Image | (11S)-11,17-Dihydroxy-3,4-dimethoxytricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaen-5-yl beta-D-glucopyranoside | C27H36O10

(11S)-11,17-Dihydroxy-3,4-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaen-5-yl β-D-glucopyranoside

  • Molecular FormulaC27H36O10
  • Average mass520.569 Da
  • Monoisotopic mass520.230835 Da
  • ChemSpider ID9148556

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(11S)-11,17-Dihydroxy-3,4-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaen-5-yl β-D-glucopyranoside [ACD/IUPAC Name]
(11S)-11,17-Dihydroxy-3,4-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaen-5-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (11S)-11,17-dihydroxy-3,4-diméthoxytricyclo[12.3.1.12,6]nonadéca-1(18),2(19),3,5,14,16-hexaén-5-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (11S)-11,17-dihydroxy-3,4-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaen-5-yl [ACD/Index Name]
(+)-S-Myricanol glucoside
449729-89-9 [RN]
MFCD20274954

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 787.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 120.2±3.0 kJ/mol
    Flash Point: 430.1±32.9 °C
    Index of Refraction: 1.612
    Molar Refractivity: 134.0±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 6
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 3
    ACD/LogP: 1.81
    ACD/LogD (pH 5.5): 1.40
    ACD/BCF (pH 5.5): 6.83
    ACD/KOC (pH 5.5): 137.64
    ACD/LogD (pH 7.4): 1.39
    ACD/BCF (pH 7.4): 6.74
    ACD/KOC (pH 7.4): 135.78
    Polar Surface Area: 158 Å2
    Polarizability: 53.1±0.5 10-24cm3
    Surface Tension: 55.6±3.0 dyne/cm
    Molar Volume: 385.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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