ChemSpider 2D Image | 3-Hydroxy-5,17-dimethyl-4,5-epoxymorphinan-6-one | C18H21NO3

3-Hydroxy-5,17-dimethyl-4,5-epoxymorphinan-6-one

  • Molecular FormulaC18H21NO3
  • Average mass299.364 Da
  • Monoisotopic mass299.152130 Da
  • ChemSpider ID58816045

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

3-Hydroxy-5,17-dimethyl-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
3-Hydroxy-5,17-dimethyl-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
3-Hydroxy-5,17-diméthyl-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 4,5-epoxy-3-hydroxy-5,17-dimethyl- [ACD/Index Name]
143-52-2 [RN]
metopon [Wiki]
MORPHINAN-6-ONE,4,5-EPOXY-3-HYDROXY-5,17-DIMETHYL-, (5A)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 468.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 237.2±28.7 °C
Index of Refraction: 1.664
Molar Refractivity: 81.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.65
Polar Surface Area: 50 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 219.3±5.0 cm3

Click to predict properties on the Chemicalize site


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