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

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

  • Molecular FormulaC43H52N4O5
  • Average mass704.897 Da
  • Monoisotopic mass704.393799 Da
  • ChemSpider ID13082954

  • 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

12-Méthoxy-13-[(3α,19E)-17-méthoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate de méthyle [French] [ACD/IUPAC Name]
Ibogamine-18-carboxylic acid, 12-methoxy-13-[(3α,19E)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester [ACD/Index Name]
Methyl 12-methoxy-13-[(3α,19E)-17-methoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate [ACD/IUPAC Name]
Methyl-12-methoxy-13-[(3α,19E)-17-methoxy-17-oxovobasan-3-yl]ibogamin-18-carboxylat [German] [ACD/IUPAC Name]
3371-85-5 [RN]
MFCD30723103
Voacamine [Wiki]

    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: 1.674
    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

    Click to predict properties on the Chemicalize site


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