ChemSpider 2D Image | (6alpha)-17-Methyl-4,5-epoxymorphinan-3,6,14-triol | C17H21NO4

(6α)-17-Methyl-4,5-epoxymorphinan-3,6,14-triol

  • Molecular FormulaC17H21NO4
  • Average mass303.353 Da
  • Monoisotopic mass303.147064 Da
  • ChemSpider ID29787771

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(6α)-17-Methyl-4,5-epoxymorphinan-3,6,14-triol [German] [ACD/IUPAC Name]
(6α)-17-Methyl-4,5-epoxymorphinan-3,6,14-triol [ACD/IUPAC Name]
(6α)-17-Méthyl-4,5-époxymorphinane-3,6,14-triol [French] [ACD/IUPAC Name]
Morphinan-3,6,14-triol, 4,5-epoxy-17-methyl-, (6α)- [ACD/Index Name]
(5a,6a)-4,5-Epoxy-17-methylmorphinan-3,6,14-triol
6a-Oxymorphol
7,8-Dihydro-14-hydroxymorphine
a-Oxymorphol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 517.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 266.8±30.1 °C
Index of Refraction: 1.721
Molar Refractivity: 79.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 27.45
Polar Surface Area: 73 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 81.4±5.0 dyne/cm
Molar Volume: 201.5±5.0 cm3

Click to predict properties on the Chemicalize site


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