ChemSpider 2D Image | (9alpha)-3-(Methoxycarbonyl)-2,3-didehydroaspidospermidin-9-ium | C21H27N2O2

(9α)-3-(Methoxycarbonyl)-2,3-didehydroaspidospermidin-9-ium

  • Molecular FormulaC21H27N2O2
  • Average mass339.451 Da
  • Monoisotopic mass339.206696 Da
  • ChemSpider ID76963422

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(9α)-3-(Methoxycarbonyl)-2,3-didehydroaspidospermidin-9-ium [German] [ACD/IUPAC Name]
(9α)-3-(Methoxycarbonyl)-2,3-didehydroaspidospermidin-9-ium [ACD/IUPAC Name]
(9α)-3-(Méthoxycarbonyl)-2,3-didéhydroaspidospermidin-9-ium [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 2,3-didehydro-, methyl ester, conjugate monoacid, (9R)- [ACD/Index Name]
(+)-Vincadifformine
(+)-vincadifformine(1+)

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

Density:
Boiling Point: 474.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 240.8±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 4.80
ACD/KOC (pH 7.4): 33.14
Polar Surface Area: 43 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement