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

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

  • Molecular FormulaC43H52N4O5
  • Average mass704.897 Da
  • Monoisotopic mass704.393799 Da
  • ChemSpider ID4512926
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 8 defined stereocentres

More details:

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

12-Méthoxy-13-[(3α,19Z)-17-méthoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate de méthyle [French] [ACD/IUPAC Name]
Ibogamine-18-carboxylic acid, 12-methoxy-13-[(3α,19Z)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester [ACD/Index Name]
Methyl 12-methoxy-13-[(3α,19Z)-17-methoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate [ACD/IUPAC Name]
Methyl-12-methoxy-13-[(3α,19Z)-17-methoxy-17-oxovobasan-3-yl]ibogamin-18-carboxylat [German] [ACD/IUPAC Name]
6,9-Methano-5H-pyrido[1',2':1,2]azepino[4,5-b]indole-6-carboxylic acid, 3-(14-carboxy-5-ethylidene-2,3,4,5,6,7,8, 9-octahydro-3-methyl-2,6-methano-1H-azecino[5, 4-b]indol-8-yl)-7-ethyl-6,6a,7,8,9,10,12,13-octahydro-2-methoxy-, dimethyl ester
Ibogamine-18-carboxylic acid, 12-methoxy-13-[ (3α)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester

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

B 606109 [DBID]
NSC82591 [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: 7.38
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 12.21
ACD/KOC (pH 5.5): 15.79
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 9084.94
ACD/KOC (pH 7.4): 11743.81
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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