ChemSpider 2D Image | (5alpha,9alpha)-3-Hydroxy-17-(~2~H_3_)methyl(15,15,16-~2~H_3_)-4,5-epoxymorphinan-6-one | C17H13D6NO3

(5α,9α)-3-Hydroxy-17-(2H3)methyl(15,15,16-2H3)-4,5-epoxymorphinan-6-one

  • Molecular FormulaC17H13D6NO3
  • Average mass291.375 Da
  • Monoisotopic mass291.174164 Da
  • ChemSpider ID49073304

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5α,9α)-3-Hydroxy-17-(2H3)methyl(15,15,16-2H3)-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5α,9α)-3-Hydroxy-17-(2H3)methyl(15,15,16-2H3)-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α,9α)-3-Hydroxy-17-(2H3)méthyl(15,15,16-2H3)-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one-15,15,16-d3, 4,5-epoxy-3-hydroxy-17-(methyl-d3)-, (5α,9α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 475.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 241.4±28.7 °C
Index of Refraction: 1.679
Molar Refractivity: 76.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.74
Polar Surface Area: 50 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 203.3±5.0 cm3

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