ChemSpider 2D Image | (19alpha)-16-(Methoxycarbonyl)-19-methyl-4,16,17,21-tetradehydro-18-oxayohimban-4-ium | C21H23N2O3

(19α)-16-(Methoxycarbonyl)-19-methyl-4,16,17,21-tetradehydro-18-oxayohimban-4-ium

  • Molecular FormulaC21H23N2O3
  • Average mass351.418 Da
  • Monoisotopic mass351.170319 Da
  • ChemSpider ID23090441

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(19α)-16-(Methoxycarbonyl)-19-methyl-4,16,17,21-tetradehydro-18-oxajohimban-4-ium [German] [ACD/IUPAC Name]
(19α)-16-(Methoxycarbonyl)-19-methyl-4,16,17,21-tetradehydro-18-oxayohimban-4-ium [ACD/IUPAC Name]
(19α)-16-(Méthoxycarbonyl)-19-méthyl-4,16,17,21-tétradéhydro-18-oxayohimban-4-ium [French] [ACD/IUPAC Name]
Oxayohimban-4-ium, 4,16,17,21-tetradehydro-16-(methoxycarbonyl)-19-methyl-, (19α)- [ACD/Index Name]
11-Methoxycarbonyl-8-methyl-5,6,7a,8,11a,12,12a,13-octahydro-9-oxa-13-aza-6a-azonia-indeno[2,1-a]anthracene (cathenamine)
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL276308/

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 54 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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