ChemSpider 2D Image | (5alpha,6alpha,9alpha)-17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol | C17H19NO3

(5α,6α,9α)-17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol

  • Molecular FormulaC17H19NO3
  • Average mass285.338 Da
  • Monoisotopic mass285.136505 Da
  • ChemSpider ID74044365

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5α,6α,9α)-17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol [ACD/IUPAC Name]
(5α,6α,9α)-17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol [German] [ACD/IUPAC Name]
(5α,6α,9α)-17-Méthyl-7,8-didéhydro-4,5-époxymorphinane-3,6-diol [French] [ACD/IUPAC Name]
Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5α,6α,9α)- [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: 476.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 241.8±28.7 °C
Index of Refraction: 1.719
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.43
Polar Surface Area: 53 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 72.9±5.0 dyne/cm
Molar Volume: 197.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement