ChemSpider 2D Image | (2beta,3beta)-3-(alpha-D-Glucopyranosyloxy)-2,23-dihydroxy-30-methoxy-30-oxoolean-12-en-28-oic acid | C37H58O12

(2β,3β)-3-(α-D-Glucopyranosyloxy)-2,23-dihydroxy-30-methoxy-30-oxoolean-12-en-28-oic acid

  • Molecular FormulaC37H58O12
  • Average mass694.849 Da
  • Monoisotopic mass694.392822 Da
  • ChemSpider ID32697108

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2β,3β)-3-(α-D-Glucopyranosyloxy)-2,23-dihydroxy-30-methoxy-30-oxoolean-12-en-28-oic acid [ACD/IUPAC Name]
(2β,3β)-3-(α-D-Glucopyranosyloxy)-2,23-dihydroxy-30-methoxy-30-oxoolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (2β,3β)-3-(α-D-glucopyranosyloxy)-2,23-dihydroxy-30-méthoxy-30-oxooléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-ene-28,30-dioic acid, 3-(α-D-glucopyranosyloxy)-2,23-dihydroxy-, 30-methyl ester, (2β,3β)- [ACD/Index Name]
(2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-Hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-10-[(2R,3R,4S
[89808-50-4] [RN]
89808-50-4 [RN]
Esculentoside D
esculentosideD
MFCD11111465

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 815.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 135.0±6.0 kJ/mol
    Flash Point: 246.7±27.8 °C
    Index of Refraction: 1.606
    Molar Refractivity: 176.8±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 7
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: 2.82
    ACD/LogD (pH 5.5): 2.25
    ACD/BCF (pH 5.5): 16.24
    ACD/KOC (pH 5.5): 121.68
    ACD/LogD (pH 7.4): 0.46
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.94
    Polar Surface Area: 203 Å2
    Polarizability: 70.1±0.5 10-24cm3
    Surface Tension: 67.1±5.0 dyne/cm
    Molar Volume: 512.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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