ChemSpider 2D Image | Methyl 13-[(3alpha,5alpha,15alpha,16R,20beta)-17-methoxy-17-oxo-19,20-dihydrovobasan-3-yl]ibogamine-18-carboxylate | C42H52N4O4

Methyl 13-[(3α,5α,15α,16R,20β)-17-methoxy-17-oxo-19,20-dihydrovobasan-3-yl]ibogamine-18-carboxylate

  • Molecular FormulaC42H52N4O4
  • Average mass676.887 Da
  • Monoisotopic mass676.398865 Da
  • ChemSpider ID90657843

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

13-[(3α,5α,15α,16R,20β)-17-Méthoxy-17-oxo-19,20-dihydrovobasan-3-yl]ibogamine-18-carboxylate de méthyle [French] [ACD/IUPAC Name]
Ibogamine-18-carboxylic acid, 13-[(3α,5α,15α,16R,20β)-19,20-dihydro-17-methoxy-17-oxovobasan-3-yl]-, methyl ester [ACD/Index Name]
Methyl 13-[(3α,5α,15α,16R,20β)-17-methoxy-17-oxo-19,20-dihydrovobasan-3-yl]ibogamine-18-carboxylate [ACD/IUPAC Name]
Methyl-13-[(3α,5α,15α,16R,20β)-17-methoxy-17-oxo-19,20-dihydrovobasan-3-yl]ibogamin-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 195.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.70
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 22.19
ACD/KOC (pH 5.5): 22.35
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 1861.38
ACD/KOC (pH 7.4): 1874.79
Polar Surface Area: 91 Å2
Polarizability: 77.7±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 524.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement