ChemSpider 2D Image | Methyl 13-methoxy-12-[(19Z)-17-methoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate | C43H52N4O5

Methyl 13-methoxy-12-[(19Z)-17-methoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate

  • Molecular FormulaC43H52N4O5
  • Average mass704.897 Da
  • Monoisotopic mass704.393799 Da
  • ChemSpider ID4534229
  • Double-bond stereo - Double-bond stereo

More details:

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

13-Méthoxy-12-[(19Z)-17-méthoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate de méthyle [French] [ACD/IUPAC Name]
Ibogamine-18-carboxylic acid, 13-methoxy-12-[(19Z)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester [ACD/Index Name]
Methyl 13-methoxy-12-[(19Z)-17-methoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate [ACD/IUPAC Name]
Methyl-13-methoxy-12-[(19Z)-17-methoxy-17-oxovobasan-3-yl]ibogamin-18-carboxylat [German] [ACD/IUPAC Name]
Methyl 3-(13-methoxy-18-(methoxycarbonyl)ibogamin-12-yl)vobasan-17-oate

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

AIDS133010 [DBID]
AIDS-133010 [DBID]
NSC628059 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 202.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 12.49
ACD/KOC (pH 5.5): 16.52
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 10329.43
ACD/KOC (pH 7.4): 13657.58
Polar Surface Area: 100 Å2
Polarizability: 80.1±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 538.3±5.0 cm3

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