ChemSpider 2D Image | Methyl (2alpha,20R)-20-hydroxy-12-methoxyibogamine-18-carboxylate | C22H28N2O4

Methyl (2α,20R)-20-hydroxy-12-methoxyibogamine-18-carboxylate

  • Molecular FormulaC22H28N2O4
  • Average mass384.469 Da
  • Monoisotopic mass384.204895 Da
  • ChemSpider ID23339522

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2α,20R)-20-Hydroxy-12-méthoxyibogamine-18-carboxylate de méthyle [French] [ACD/IUPAC Name]
Ibogamine-18-carboxylic acid, 20-hydroxy-12-methoxy-, methyl ester, (2α,20R)- [ACD/Index Name]
Methyl (2α,20R)-20-hydroxy-12-methoxyibogamine-18-carboxylate [ACD/IUPAC Name]
Methyl-(2α,20R)-20-hydroxy-12-methoxyibogamin-18-carboxylat [German] [ACD/IUPAC Name]
19-epi-voacristine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL512646/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 542.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 282.1±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 105.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.60
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 17.19
ACD/KOC (pH 7.4): 204.28
Polar Surface Area: 75 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 290.6±5.0 cm3

Click to predict properties on the Chemicalize site


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