ChemSpider 2D Image | Methyl (15alpha,19E)-3-oxovobasan-17-oate | C21H24N2O3

Methyl (15α,19E)-3-oxovobasan-17-oate

  • Molecular FormulaC21H24N2O3
  • Average mass352.427 Da
  • Monoisotopic mass352.178680 Da
  • ChemSpider ID26376422

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(15α,19E)-3-Oxovobasan-17-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (15α,19E)-3-oxovobasan-17-oate [ACD/IUPAC Name]
Methyl-(15α,19E)-3-oxovobasan-17-oat [German] [ACD/IUPAC Name]
Vobasan-17-oic acid, 3-oxo-, methyl ester, (15α,19E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 526.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.4±30.1 °C
Index of Refraction: 1.647
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 2.07
ACD/KOC (pH 5.5): 16.52
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 82.63
ACD/KOC (pH 7.4): 660.56
Polar Surface Area: 62 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 280.8±3.0 cm3

Click to predict properties on the Chemicalize site


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