ChemSpider 2D Image | Voacamine | C43H52N4O5

Voacamine

  • Molecular FormulaC43H52N4O5
  • Average mass704.897 Da
  • Monoisotopic mass704.393799 Da
  • ChemSpider ID16739743

  • 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-Methoxy-13-[(3a)-17-methoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylic Acid Methyl Ester
12-Méthoxy-13-[(3α,19E)-17-méthoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate de méthyle [French] [ACD/IUPAC Name]
3371-85-5 [RN]
Ibogamine-18-carboxylic acid, 12-methoxy-13-[(3α)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester
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]
Voacamine [Wiki]
Methyl (1S,15R,17S,18S)-17-ethyl-6-[(1S,12S,14R,15E,18S)-15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl 12-methoxy-13-(17-methoxy-17-oxovobasan-3α-yl)ibogamine-18-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 202.0±0.0 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): 3.43
ACD/BCF (pH 5.5): 26.71
ACD/KOC (pH 5.5): 27.59
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 19743.51
ACD/KOC (pH 7.4): 20390.99
Polar Surface Area: 100 Å2
Polarizability: 80.1±0.0 10-24cm3
Surface Tension: 64.8±0.0 dyne/cm
Molar Volume: 538.3±0.0 cm3

Click to predict properties on the Chemicalize site


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