ChemSpider 2D Image | Methyl (3xi,19alpha)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate | C21H24N2O3

Methyl (3ξ,19α)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate

  • Molecular FormulaC21H24N2O3
  • Average mass352.427 Da
  • Monoisotopic mass352.178680 Da
  • ChemSpider ID75586570

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3ξ,19α)-19-Méthyl-16,17-didéhydro-18-oxayohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (3ξ,19α)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate [ACD/IUPAC Name]
Methyl-(3ξ,19α)-19-methyl-16,17-didehydro-18-oxajohimban-16-carboxylat [German] [ACD/IUPAC Name]
Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (3ξ,19α)- [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: 524.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.7±30.1 °C
Index of Refraction: 1.656
Molar Refractivity: 99.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.95
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 16.56
ACD/KOC (pH 7.4): 142.07
Polar Surface Area: 55 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 270.4±5.0 cm3

Click to predict properties on the Chemicalize site


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