ChemSpider 2D Image | (5alpha,7beta)-7-Chloro-3,6-dimethoxy-17-methyl-4,5-epoxy-6,14-ethenomorphinan | C21H24ClNO3

(5α,7β)-7-Chloro-3,6-dimethoxy-17-methyl-4,5-epoxy-6,14-ethenomorphinan

  • Molecular FormulaC21H24ClNO3
  • Average mass373.873 Da
  • Monoisotopic mass373.144470 Da
  • ChemSpider ID24732852

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5α,7β)-7-Chlor-3,6-dimethoxy-17-methyl-4,5-epoxy-6,14-ethenomorphinan [German] [ACD/IUPAC Name]
(5α,7β)-7-Chloro-3,6-dimethoxy-17-methyl-4,5-epoxy-6,14-ethenomorphinan [ACD/IUPAC Name]
(5α,7β)-7-Chloro-3,6-diméthoxy-17-méthyl-4,5-époxy-6,14-éthénomorphinane [French] [ACD/IUPAC Name]
6,14-Ethenomorphinan, 7-chloro-4,5-epoxy-3,6-dimethoxy-17-methyl-, (5α,7β)- [ACD/Index 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: 504.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 258.9±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 99.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.74
ACD/KOC (pH 5.5): 15.41
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 63.87
ACD/KOC (pH 7.4): 565.73
Polar Surface Area: 31 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 272.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement