ChemSpider 2D Image | (5alpha,9alpha)-3,14-Dihydroxy-17-(~2~H_3_)methyl-4,5-epoxymorphinan-6-one | C17H16D3NO4

(5α,9α)-3,14-Dihydroxy-17-(2H3)methyl-4,5-epoxymorphinan-6-one

  • Molecular FormulaC17H16D3NO4
  • Average mass304.355 Da
  • Monoisotopic mass304.150238 Da
  • ChemSpider ID57530496
  • defined stereocentres - 4 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)-3,14-Dihydroxy-17-(2H3)methyl-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5α,9α)-3,14-Dihydroxy-17-(2H3)methyl-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α,9α)-3,14-Dihydroxy-17-(2H3)méthyl-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(methyl-d3)-, (5α,9α)- [ACD/Index Name]
145225-03-2 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 518.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 267.5±30.1 °C
Index of Refraction: 1.710
Molar Refractivity: 78.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.35
ACD/KOC (pH 7.4): 33.19
Polar Surface Area: 70 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 77.9±5.0 dyne/cm
Molar Volume: 200.4±5.0 cm3

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