ChemSpider 2D Image | Methyl (4alpha)-13-methoxy-14-[(3beta,19E)-17-methoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate | C43H52N4O5

Methyl (4α)-13-methoxy-14-[(3β,19E)-17-methoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate

  • Molecular FormulaC43H52N4O5
  • Average mass704.897 Da
  • Monoisotopic mass704.393799 Da
  • ChemSpider ID57260028
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(4α)-13-Méthoxy-14-[(3β,19E)-17-méthoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate de méthyle [French] [ACD/IUPAC Name]
Ibogamine-18-carboxylic acid, 13-methoxy-14-[(3β,19E)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester, (4α)- [ACD/Index Name]
Methyl (4α)-13-methoxy-14-[(3β,19E)-17-methoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate [ACD/IUPAC Name]
Methyl-(4α)-13-methoxy-14-[(3β,19E)-17-methoxy-17-oxovobasan-3-yl]ibogamin-18-carboxylat [German] [ACD/IUPAC Name]
2665-57-8 [RN]
Conodurine

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): 2.95
ACD/BCF (pH 5.5): 12.13
ACD/KOC (pH 5.5): 16.43
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 10185.79
ACD/KOC (pH 7.4): 13802.54
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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