ChemSpider 2D Image | 3-(Methoxycarbonyl)-2,3,6,7-tetradehydroaspidospermidin-9-ium | C21H25N2O2

3-(Methoxycarbonyl)-2,3,6,7-tetradehydroaspidospermidin-9-ium

  • Molecular FormulaC21H25N2O2
  • Average mass337.435 Da
  • Monoisotopic mass337.191040 Da
  • ChemSpider ID24785360

  • Charge - Charge

More details:

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

3-(Methoxycarbonyl)-2,3,6,7-tetradehydroaspidospermidin-9-ium [ACD/IUPAC Name]
3-(Methoxycarbonyl)-2,3,6,7-tetradehydroaspidospermidin-9-ium [German] [ACD/IUPAC Name]
3-(Méthoxycarbonyl)-2,3,6,7-tétradéhydroaspidospermidin-9-ium [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-, methyl ester, conjugate monoacid [ACD/Index Name]
tabersonine

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

Density:
Boiling Point: 488.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 249.4±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: 3.57
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 16.86
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 91.75
ACD/KOC (pH 7.4): 700.71
Polar Surface Area: 43 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement