ChemSpider 2D Image | 1-[(5xi)-17-Methoxyaspidospermidin-1-yl]ethanone | C22H30N2O2

1-[(5ξ)-17-Methoxyaspidospermidin-1-yl]ethanone

  • Molecular FormulaC22H30N2O2
  • Average mass354.486 Da
  • Monoisotopic mass354.230713 Da
  • ChemSpider ID58817251

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-[(5ξ)-17-Methoxyaspidospermidin-1-yl]ethanon [German] [ACD/IUPAC Name]
1-[(5ξ)-17-Methoxyaspidospermidin-1-yl]ethanone [ACD/IUPAC Name]
1-[(5ξ)-17-Méthoxyaspidospermidin-1-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(5ξ)-17-methoxyaspidospermidin-1-yl]- [ACD/Index Name]
466-49-9 [RN]
Aspidospermine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 542.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.1±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 102.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.06
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 11.21
Polar Surface Area: 33 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 293.5±5.0 cm3

Click to predict properties on the Chemicalize site


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