ChemSpider 2D Image | Methyl (2alpha,4alpha,5xi,18beta)-12-methoxyibogamine-18-carboxylate | C22H28N2O3

Methyl (2α,4α,5ξ,18β)-12-methoxyibogamine-18-carboxylate

  • Molecular FormulaC22H28N2O3
  • Average mass368.469 Da
  • Monoisotopic mass368.209991 Da
  • ChemSpider ID57619395

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2α,4α,5ξ,18β)-12-Méthoxyibogamine-18-carboxylate de méthyle [French] [ACD/IUPAC Name]
Ibogamine-18-carboxylic acid, 12-methoxy-, methyl ester, (2α,4α,5ξ,18β)- [ACD/Index Name]
Methyl (2α,4α,5ξ,18β)-12-methoxyibogamine-18-carboxylate [ACD/IUPAC Name]
Methyl-(2α,4α,5ξ,18β)-12-methoxyibogamin-18-carboxylat [German] [ACD/IUPAC Name]
510-22-5 [RN]
Voacangine [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 518.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.3±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 104.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 2.66
ACD/KOC (pH 5.5): 16.22
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 131.21
ACD/KOC (pH 7.4): 800.47
Polar Surface Area: 55 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 292.7±5.0 cm3

Click to predict properties on the Chemicalize site


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