ChemSpider 2D Image | Methyl (2alpha)-12-methoxy-13-[(3alpha,5alpha,19E)-17-methoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate | C43H52N4O5

Methyl (2α)-12-methoxy-13-[(3α,5α,19E)-17-methoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate

  • Molecular FormulaC43H52N4O5
  • Average mass704.897 Da
  • Monoisotopic mass704.393799 Da
  • ChemSpider ID10128230

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2α)-12-Méthoxy-13-[(3α,5α,19E)-17-méthoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate de méthyle [French] [ACD/IUPAC Name]
Ibogamine-18-carboxylic acid, 12-methoxy-13-[(3α,5α,19E)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester, (2α)- [ACD/Index Name]
Methyl (2α)-12-methoxy-13-[(3α,5α,19E)-17-methoxy-17-oxovobasan-3-yl]ibogamine-18-carboxylate [ACD/IUPAC Name]
Methyl-(2α)-12-methoxy-13-[(3α,5α,19E)-17-methoxy-17-oxovobasan-3-yl]ibogamin-18-carboxylat [German] [ACD/IUPAC Name]
222-151-3 [EINECS]
apentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl (1S,15S,17S,18S)-17-ethyl-6-[(1R,12R,14R,15E)-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-diaz
methyl (1S,15S,17S,18S)-17-ethyl-6-[(1R,12R,14R,15E)-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
methyl (1S,15S,17S,18S)-17-ethyl-6-[(1R,12R,14R,15E)-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
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2Z504YT5AG [DBID]
C09252 [DBID]

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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