ChemSpider 2D Image | (5alpha)-3-Hydroxy-5,17-dimethyl-14-(3-phenylpropoxy)-4,5-epoxymorphinan-6-one | C27H31NO4

(5α)-3-Hydroxy-5,17-dimethyl-14-(3-phenylpropoxy)-4,5-epoxymorphinan-6-one

  • Molecular FormulaC27H31NO4
  • Average mass433.539 Da
  • Monoisotopic mass433.225311 Da
  • ChemSpider ID24818130

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(5α)-3-Hydroxy-5,17-dimethyl-14-(3-phenylpropoxy)-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5α)-3-Hydroxy-5,17-dimethyl-14-(3-phenylpropoxy)-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α)-3-Hydroxy-5,17-diméthyl-14-(3-phénylpropoxy)-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 4,5-epoxy-3-hydroxy-5,17-dimethyl-14-(3-phenylpropoxy)-, (5α)- [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: 596.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 314.8±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 121.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 9.54
ACD/KOC (pH 5.5): 55.53
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 298.68
ACD/KOC (pH 7.4): 1738.01
Polar Surface Area: 59 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 332.4±5.0 cm3

Click to predict properties on the Chemicalize site


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