ChemSpider 2D Image | Methyl (2alpha)-13-methoxy-14-[(3beta,15alpha)-17-methoxy-17-oxo-8,18-didehydro-8,20-dihydrovobasan-3-yl]ibogamine-18-carboxylate | C43H52N4O5

Methyl (2α)-13-methoxy-14-[(3β,15α)-17-methoxy-17-oxo-8,18-didehydro-8,20-dihydrovobasan-3-yl]ibogamine-18-carboxylate

  • Molecular FormulaC43H52N4O5
  • Average mass704.897 Da
  • Monoisotopic mass704.393799 Da
  • ChemSpider ID24713429

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(2α)-13-Méthoxy-14-[(3β,15α)-17-méthoxy-17-oxo-8,18-didéhydro-8,20-dihydrovobasan-3-yl]ibogamine-18-carboxylate de méthyle [French] [ACD/IUPAC Name]
Ibogamine-18-carboxylic acid, 14-[(3β,15α)-8,18-didehydro-8,20-dihydro-17-methoxy-17-oxovobasan-3-yl]-13-methoxy-, methyl ester, (2α)- [ACD/Index Name]
Methyl (2α)-13-methoxy-14-[(3β,15α)-17-methoxy-17-oxo-8,18-didehydro-8,20-dihydrovobasan-3-yl]ibogamine-18-carboxylate [ACD/IUPAC Name]
Methyl-(2α)-13-methoxy-14-[(3β,15α)-17-methoxy-17-oxo-8,18-didehydro-8,20-dihydrovobasan-3-yl]ibogamin-18-carboxylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL508305/

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: 202.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 9.44
ACD/KOC (pH 5.5): 12.52
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 2990.59
ACD/KOC (pH 7.4): 3967.19
Polar Surface Area: 100 Å2
Polarizability: 80.1±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 541.0±5.0 cm3

Click to predict properties on the Chemicalize site


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