ChemSpider 2D Image | Methyl (12beta)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate | C21H24N2O2

Methyl (12β)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate

  • Molecular FormulaC21H24N2O2
  • Average mass336.427 Da
  • Monoisotopic mass336.183777 Da
  • ChemSpider ID29788104

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(12β)-2,3,6,7-Tétradéhydroaspidospermidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-, methyl ester, (12β)- [ACD/Index Name]
Methyl (12β)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate [ACD/IUPAC Name]
Methyl-(12β)-2,3,6,7-tetradehydroaspidospermidin-3-carboxylat [German] [ACD/IUPAC Name]
(-)-Tabersonine
(5a,12R,19a)-2,3,6,7-Tetradehydro-aspidospermidine-3-carboxylic acid methyl ester
Tabersonin

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

Density: 1.3±0.1 g/cm3
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: 1.652
Molar Refractivity: 96.8±0.4 cm3
#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: 42 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 264.7±5.0 cm3

Click to predict properties on the Chemicalize site


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