ChemSpider 2D Image | Methyl (2alpha)-2,24-dihydroxy-3-oxoolean-12-en-28-oate | C31H48O5

Methyl (2α)-2,24-dihydroxy-3-oxoolean-12-en-28-oate

  • Molecular FormulaC31H48O5
  • Average mass500.710 Da
  • Monoisotopic mass500.350189 Da
  • ChemSpider ID17343995

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2α)-2,24-Dihydroxy-3-oxooléan-12-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (2α)-2,24-dihydroxy-3-oxoolean-12-en-28-oate [ACD/IUPAC Name]
Methyl-(2α)-2,24-dihydroxy-3-oxoolean-12-en-28-oat [German] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 2,24-dihydroxy-3-oxo-, methyl ester, (2α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 588.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 181.4±23.6 °C
Index of Refraction: 1.559
Molar Refractivity: 140.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 51009.73
ACD/KOC (pH 5.5): 81530.52
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 51009.56
ACD/KOC (pH 7.4): 81530.25
Polar Surface Area: 84 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 433.7±5.0 cm3

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