ChemSpider 2D Image | (5beta)-Alstophyllan-19-one | C21H24N2O2

(5β)-Alstophyllan-19-one

  • Molecular FormulaC21H24N2O2
  • Average mass336.427 Da
  • Monoisotopic mass336.183777 Da
  • ChemSpider ID74093205

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(5β)-Alstophyllan-19-on [German] [ACD/IUPAC Name]
(5β)-Alstophyllan-19-one [ACD/IUPAC Name]
(5β)-Alstophyllan-19-one [French] [ACD/IUPAC Name]
Ethanone, 1-[(4aR,13R,13aR)-1,4a,5,6,7,12,13,13a-octahydro-7,14-dimethyl-6,13-iminopyrano[3',4':5,6]cyclooct[1,2-b]indol-4-yl]- [ACD/Index 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: 521.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.5±30.1 °C
Index of Refraction: 1.693
Molar Refractivity: 96.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.05
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 24.59
ACD/KOC (pH 7.4): 203.60
Polar Surface Area: 34 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 250.8±7.0 cm3

Click to predict properties on the Chemicalize site


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