ChemSpider 2D Image | (5alpha,6alpha)-17-Methyl-4,5-epoxymorphinan-3,6-diol | C17H21NO3

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

  • Molecular FormulaC17H21NO3
  • Average mass287.353 Da
  • Monoisotopic mass287.152130 Da
  • ChemSpider ID23222594

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5α,6α)-17-Methyl-4,5-epoxymorphinan-3,6-diol [ACD/IUPAC Name]
(5α,6α)-17-Methyl-4,5-epoxymorphinan-3,6-diol [German] [ACD/IUPAC Name]
(5α,6α)-17-Méthyl-4,5-époxymorphinane-3,6-diol [French] [ACD/IUPAC Name]
Morphinan-3,6-diol, 4,5-epoxy-17-methyl-, (5α,6α)- [ACD/Index Name]
4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene-10,14-diol(DHM)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 475.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 241.3±28.7 °C
Index of Refraction: 1.690
Molar Refractivity: 78.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.91
Polar Surface Area: 53 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 204.3±5.0 cm3

Click to predict properties on the Chemicalize site


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