ChemSpider 2D Image | (2beta,3beta)-3-(beta-D-Glucopyranosyloxy)-2,23-dihydroxyolean-12-en-28-oic acid | C36H58O10

(2β,3β)-3-(β-D-Glucopyranosyloxy)-2,23-dihydroxyolean-12-en-28-oic acid

  • Molecular FormulaC36H58O10
  • Average mass650.840 Da
  • Monoisotopic mass650.403015 Da
  • ChemSpider ID62967319

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(2β,3β)-3-(β-D-Glucopyranosyloxy)-2,23-dihydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(2β,3β)-3-(β-D-Glucopyranosyloxy)-2,23-dihydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (2β,3β)-3-(β-D-glucopyranosyloxy)-2,23-dihydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-2,23-dihydroxy-, (2β,3β)- [ACD/Index Name]
104513-86-2 [RN]
Bayogenin 3-o-β-d-glucopyranoside
MFCD13186869
ZOUJKJNUAOXJGL-WQMXAPTBSA-N

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 786.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±6.2 mmHg at 25°C
    Enthalpy of Vaporization: 130.4±6.0 kJ/mol
    Flash Point: 239.9±26.4 °C
    Index of Refraction: 1.606
    Molar Refractivity: 170.3±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 7
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 3
    ACD/LogP: 4.09
    ACD/LogD (pH 5.5): 3.36
    ACD/BCF (pH 5.5): 126.56
    ACD/KOC (pH 5.5): 604.09
    ACD/LogD (pH 7.4): 1.56
    ACD/BCF (pH 7.4): 1.99
    ACD/KOC (pH 7.4): 9.50
    Polar Surface Area: 177 Å2
    Polarizability: 67.5±0.5 10-24cm3
    Surface Tension: 64.8±5.0 dyne/cm
    Molar Volume: 494.0±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement