Deprecated ChemSpider Record

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ChemSpider 2D Image | Methyl (19E)-3-(ibogamin-13-yl)vobasan-17-oate | C40H48N4O2

Methyl (19E)-3-(ibogamin-13-yl)vobasan-17-oate

  • Molecular FormulaC40H48N4O2
  • Average mass616.835 Da
  • Monoisotopic mass616.377747 Da
  • ChemSpider ID4584956

  • Double-bond stereo - Double-bond stereo

Date of deprecation: 16:08, Dec 21, 2016
Reason for deprecation: Deprecate record: no defined stereocentres

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(19E)-3-(Ibogamin-13-yl)vobasan-17-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (19E)-3-(ibogamin-13-yl)vobasan-17-oate [ACD/IUPAC Name]
Methyl-(19E)-3-(ibogamin-13-yl)vobasan-17-oat [German] [ACD/IUPAC Name]
Vobasan-17-oic acid, 3-ibogamin-13-yl-, methyl ester, (19E)- [ACD/Index Name]
TABERNAMINE

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

NSC265471 [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: 1.690
Molar Refractivity: 184.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.99
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 30.56
ACD/KOC (pH 5.5): 27.93
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 952.73
ACD/KOC (pH 7.4): 870.57
Polar Surface Area: 64 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 482.5±5.0 cm3

Click to predict properties on the Chemicalize site


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