ChemSpider 2D Image | (5alpha)-3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6,10-dione | C17H17NO5

(5α)-3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6,10-dione

  • Molecular FormulaC17H17NO5
  • Average mass315.321 Da
  • Monoisotopic mass315.110687 Da
  • ChemSpider ID23242796
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






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

(5α)-3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6,10-dion [German] [ACD/IUPAC Name]
(5α)-3,14-Dihydroxy-17-methyl-4,5-epoxymorphinan-6,10-dione [ACD/IUPAC Name]
(5α)-3,14-Dihydroxy-17-méthyl-4,5-époxymorphinane-6,10-dione [French] [ACD/IUPAC Name]
Morphinan-6,10-dione, 4,5-epoxy-3,14-dihydroxy-17-methyl-, (5α)- [ACD/Index Name]
10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene-6,14-dione(Ketooxymorphone)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 602.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 317.9±31.5 °C
Index of Refraction: 1.725
Molar Refractivity: 78.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 2.96
ACD/KOC (pH 5.5): 62.07
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.23
ACD/KOC (pH 7.4): 25.77
Polar Surface Area: 87 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 85.8±5.0 dyne/cm
Molar Volume: 197.3±5.0 cm3

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