ChemSpider 2D Image | 3-Hydroxy-14-methoxy-17-methyl-4,5-epoxymorphinan-6-one | C18H21NO4

3-Hydroxy-14-methoxy-17-methyl-4,5-epoxymorphinan-6-one

  • Molecular FormulaC18H21NO4
  • Average mass315.364 Da
  • Monoisotopic mass315.147064 Da
  • ChemSpider ID24675846
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(5α)-3-Hydroxy-14-méthoxy-17-méthyl-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
3-Hydroxy-14-methoxy-17-methyl-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
3-Hydroxy-14-methoxy-17-methyl-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
3-Hydroxy-14-méthoxy-17-méthyl-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 4,5-epoxy-3-hydroxy-14-methoxy-17-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 485.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 247.5±28.7 °C
Index of Refraction: 1.659
Molar Refractivity: 83.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.91
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.26
ACD/KOC (pH 7.4): 84.39
Polar Surface Area: 59 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 225.4±5.0 cm3

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