ChemSpider 2D Image | (5alpha)-17-Methyl-3-[(~2~H_1_)methyloxy](1,2-~2~H_2_)-7,8-didehydro-11,12-dihydro-4,5-epoxymorphinan-6-one | C18H18D3NO3

(5α)-17-Methyl-3-[(2H1)methyloxy](1,2-2H2)-7,8-didehydro-11,12-dihydro-4,5-epoxymorphinan-6-one

  • Molecular FormulaC18H18D3NO3
  • Average mass302.383 Da
  • Monoisotopic mass302.170959 Da
  • ChemSpider ID58791340

  • defined stereocentres - 4 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5α)-17-Methyl-3-[(2H1)methyloxy](1,2-2H2)-7,8-didehydro-11,12-dihydro-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5α)-17-Methyl-3-[(2H1)methyloxy](1,2-2H2)-7,8-didehydro-11,12-dihydro-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α)-17-Méthyl-3-[(2H1)méthyloxy](1,2-2H2)-7,8-didéhydro-11,12-dihydro-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one-1,2-d2, 7,8-didehydro-4,5-epoxy-11,12-dihydro-17-methyl-3-(methyl-d-oxy)-, (5α)- [ACD/Index Name]
(4R,4aR,7aR,12bS)-10,11-dideuterio-9-(deuteriomethoxy)-3-methyl-1,2,4,4a,7a,11a,12a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
145225-02-1 [RN]
Oxycodone D3
oxycodone d3 (n-methyl d3) (controlled)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 492.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.6±28.7 °C
Index of Refraction: 1.630
Molar Refractivity: 81.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 1.83
ACD/KOC (pH 7.4): 34.56
Polar Surface Area: 39 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 229.9±5.0 cm3

Click to predict properties on the Chemicalize site


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