ChemSpider 2D Image | Methyl (12beta,19alpha)-16-hydroxy-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate | C21H24N2O3

Methyl (12β,19α)-16-hydroxy-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate

  • Molecular FormulaC21H24N2O3
  • Average mass352.427 Da
  • Monoisotopic mass352.178680 Da
  • ChemSpider ID113611332

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(12β,19α)-16-Hydroxy-2,3,6,7-tétradéhydroaspidospermidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-16-hydroxy-, methyl ester, (12β,19α)- [ACD/Index Name]
Methyl (12β,19α)-16-hydroxy-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate [ACD/IUPAC Name]
Methyl-(12β,19α)-16-hydroxy-2,3,6,7-tetradehydroaspidospermidin-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 532.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 275.6±30.1 °C
Index of Refraction: 1.675
Molar Refractivity: 98.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.29
ACD/KOC (pH 5.5): 11.89
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 50.90
ACD/KOC (pH 7.4): 468.69
Polar Surface Area: 62 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 261.6±5.0 cm3

Click to predict properties on the Chemicalize site


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