ChemSpider 2D Image | Soyasapogenol D | C31H52O3

Soyasapogenol D

  • Molecular FormulaC31H52O3
  • Average mass472.743 Da
  • Monoisotopic mass472.391632 Da
  • ChemSpider ID30791669

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,4β,22β)-22-Methoxyolean-13(18)-ene-3,23-diol
(3β,22β)-22-Methoxyolean-13(18)-en-3,24-diol [German] [ACD/IUPAC Name]
(3β,22β)-22-Methoxyolean-13(18)-ene-3,24-diol [ACD/IUPAC Name]
(3β,22β)-22-Méthoxyoléan-13(18)-ène-3,24-diol [French] [ACD/IUPAC Name]
65892-76-4 [RN]
Olean-13(18)-ene-3,24-diol, 22-methoxy-, (3β,22β)- [ACD/Index Name]
Soyasapogenol D
(3S,4S,4aR,6aR,6bS,8aR,9R,14aR,14bR)-4-(hydroxymethyl)-9-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol

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

22HBQ1HBAP [DBID]
UNII:22HBQ1HBAP [DBID]
UNII-22HBQ1HBAP [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 545.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 283.4±30.1 °C
Index of Refraction: 1.547
Molar Refractivity: 139.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.14
ACD/LogD (pH 5.5): 8.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 754459.56
ACD/LogD (pH 7.4): 8.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 754459.56
Polar Surface Area: 50 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 43.3±5.0 dyne/cm
Molar Volume: 440.0±5.0 cm3

Click to predict properties on the Chemicalize site


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