ChemSpider 2D Image | Methyl (4alpha)-12,13-dimethoxyibogamine-18-carboxylate | C23H30N2O4

Methyl (4α)-12,13-dimethoxyibogamine-18-carboxylate

  • Molecular FormulaC23H30N2O4
  • Average mass398.495 Da
  • Monoisotopic mass398.220551 Da
  • ChemSpider ID95532510

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(4α)-12,13-Diméthoxyibogamine-18-carboxylate de méthyle [French] [ACD/IUPAC Name]
Ibogamine-18-carboxylic acid, 12,13-dimethoxy-, methyl ester, (4α)- [ACD/Index Name]
Methyl (4α)-12,13-dimethoxyibogamine-18-carboxylate [ACD/IUPAC Name]
Methyl-(4α)-12,13-dimethoxyibogamin-18-carboxylat [German] [ACD/IUPAC 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: 536.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.5±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 110.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 15.28
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 104.56
ACD/KOC (pH 7.4): 716.86
Polar Surface Area: 64 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 314.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement