ChemSpider 2D Image | (5alpha,9alpha)-17-Methyl-3-[(~2~H_3_)methyloxy]-4,5-epoxymorphinan-6-one | C18H18D3NO3

(5α,9α)-17-Methyl-3-[(2H3)methyloxy]-4,5-epoxymorphinan-6-one

  • Molecular FormulaC18H18D3NO3
  • Average mass302.383 Da
  • Monoisotopic mass302.170959 Da
  • ChemSpider ID57530334

  • 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)-17-Methyl-3-[(2H3)methyloxy]-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5α,9α)-17-Methyl-3-[(2H3)methyloxy]-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α,9α)-17-Méthyl-3-[(2H3)méthyloxy]-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 4,5-epoxy-17-methyl-3-(methyl-d3-oxy)-, (5α,9α)- [ACD/Index Name]
1007854-30-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 461.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 232.9±28.7 °C
Index of Refraction: 1.633
Molar Refractivity: 81.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.87
Polar Surface Area: 39 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 228.2±5.0 cm3

Click to predict properties on the Chemicalize site


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