ChemSpider 2D Image | Methyl (19alpha)-10,11-dimethoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate | C23H28N2O5

Methyl (19α)-10,11-dimethoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate

  • Molecular FormulaC23H28N2O5
  • Average mass412.479 Da
  • Monoisotopic mass412.199829 Da
  • ChemSpider ID118210179

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(19α)-10,11-Diméthoxy-19-méthyl-16,17-didéhydro-18-oxayohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (19α)-10,11-dimethoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate [ACD/IUPAC Name]
Methyl-(19α)-10,11-dimethoxy-19-methyl-16,17-didehydro-18-oxajohimban-16-carboxylat [German] [ACD/IUPAC Name]
Oxayohimban-16-carboxylic acid, 16,17-didehydro-10,11-dimethoxy-19-methyl-, methyl ester, (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: 569.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 298.4±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 112.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.22
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 32.01
ACD/KOC (pH 7.4): 319.55
Polar Surface Area: 73 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 313.8±5.0 cm3

Click to predict properties on the Chemicalize site


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