ChemSpider 2D Image | Methyl (6alpha,7alpha,19alpha)-2,3-didehydro-6,7-epoxyaspidospermidine-3-carboxylate | C21H24N2O3

Methyl (6α,7α,19α)-2,3-didehydro-6,7-epoxyaspidospermidine-3-carboxylate

  • Molecular FormulaC21H24N2O3
  • Average mass352.427 Da
  • Monoisotopic mass352.178680 Da
  • ChemSpider ID110803833

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6α,7α,19α)-2,3-Didéhydro-6,7-époxyaspidospermidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Aspidospermidine-3-carboxylic acid, 2,3-didehydro-6,7-epoxy-, methyl ester, (6α,7α,19α)- [ACD/Index Name]
Methyl (6α,7α,19α)-2,3-didehydro-6,7-epoxyaspidospermidine-3-carboxylate [ACD/IUPAC Name]
Methyl-(6α,7α,19α)-2,3-didehydro-6,7-epoxyaspidospermidin-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 501.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.8±30.1 °C
Index of Refraction: 1.665
Molar Refractivity: 96.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.29
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 11.64
ACD/KOC (pH 7.4): 103.61
Polar Surface Area: 54 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 259.9±5.0 cm3

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