ChemSpider 2D Image | Methyl (2alpha)-2-[(1H-imidazol-1-ylcarbonyl)oxy]-3-oxoolean-12-en-28-oate | C35H50N2O5

Methyl (2α)-2-[(1H-imidazol-1-ylcarbonyl)oxy]-3-oxoolean-12-en-28-oate

  • Molecular FormulaC35H50N2O5
  • Average mass578.782 Da
  • Monoisotopic mass578.371948 Da
  • ChemSpider ID65009541

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2α)-2-[(1H-Imidazol-1-ylcarbonyl)oxy]-3-oxooléan-12-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (2α)-2-[(1H-imidazol-1-ylcarbonyl)oxy]-3-oxoolean-12-en-28-oate [ACD/IUPAC Name]
Methyl-(2α)-2-[(1H-imidazol-1-ylcarbonyl)oxy]-3-oxoolean-12-en-28-oat [German] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 2-[(1H-imidazol-1-ylcarbonyl)oxy]-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: 642.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.4±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 162.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.37
ACD/LogD (pH 5.5): 8.06
ACD/BCF (pH 5.5): 785993.81
ACD/KOC (pH 5.5): 576817.31
ACD/LogD (pH 7.4): 8.06
ACD/BCF (pH 7.4): 788968.13
ACD/KOC (pH 7.4): 579000.06
Polar Surface Area: 87 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 469.5±7.0 cm3

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