ChemSpider 2D Image | (19alpha)-16-(Methoxycarbonyl)-19-methyl-16,17,20,21-tetradehydro-18-oxayohimban-4-ium | C21H23N2O3

(19α)-16-(Methoxycarbonyl)-19-methyl-16,17,20,21-tetradehydro-18-oxayohimban-4-ium

  • Molecular FormulaC21H23N2O3
  • Average mass351.418 Da
  • Monoisotopic mass351.170319 Da
  • ChemSpider ID128921064

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(19α)-16-(Methoxycarbonyl)-19-methyl-16,17,20,21-tetradehydro-18-oxajohimban-4-ium [German] [ACD/IUPAC Name]
(19α)-16-(Methoxycarbonyl)-19-methyl-16,17,20,21-tetradehydro-18-oxayohimban-4-ium [ACD/IUPAC Name]
(19α)-16-(Méthoxycarbonyl)-19-méthyl-16,17,20,21-tétradéhydro-18-oxayohimban-4-ium [French] [ACD/IUPAC Name]
Oxayohimban-16-carboxylic acid, 16,17,20,21-tetradehydro-19-methyl-, methyl ester, conjugate monoacid, (19α)- [ACD/Index Name]
Cathenamine

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

Density:
Boiling Point: 569.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 297.9±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 22.75
ACD/KOC (pH 5.5): 207.37
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.16
ACD/KOC (pH 7.4): 967.45
Polar Surface Area: 56 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement