ChemSpider 2D Image | Methyl 11-oxoursa-2,12-dien-24-oate | C31H46O3

Methyl 11-oxoursa-2,12-dien-24-oate

  • Molecular FormulaC31H46O3
  • Average mass466.695 Da
  • Monoisotopic mass466.344696 Da
  • ChemSpider ID29433523

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

11-Oxoursa-2,12-dién-24-oate de méthyle [French] [ACD/IUPAC Name]
Methyl 11-oxoursa-2,12-dien-24-oate [ACD/IUPAC Name]
Methyl-11-oxoursa-2,12-dien-24-oat [German] [ACD/IUPAC Name]
Ursa-2,12-dien-24-oic acid, 11-oxo-, methyl ester [ACD/Index Name]
methyl 11-oxo-urs-2,12-dien-24-oate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 531.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 221.6±30.2 °C
Index of Refraction: 1.545
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.88
ACD/LogD (pH 5.5): 8.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 838073.56
ACD/LogD (pH 7.4): 8.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 838073.56
Polar Surface Area: 43 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 432.8±5.0 cm3

Click to predict properties on the Chemicalize site


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