ChemSpider 2D Image | 1-[(5alpha,6alpha)-3,6-Dihydroxy-17-methyl(5,7,8-~2~H_3_)-7,8-didehydro-4,5-epoxymorphinan-6-yl]ethanone | C19H18D3NO4

1-[(5α,6α)-3,6-Dihydroxy-17-methyl(5,7,8-2H3)-7,8-didehydro-4,5-epoxymorphinan-6-yl]ethanone

  • Molecular FormulaC19H18D3NO4
  • Average mass330.393 Da
  • Monoisotopic mass330.165894 Da
  • ChemSpider ID67155846

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-[(5α,6α)-3,6-Dihydroxy-17-methyl(5,7,8-2H3)-7,8-didehydro-4,5-epoxymorphinan-6-yl]ethanon [German] [ACD/IUPAC Name]
1-[(5α,6α)-3,6-Dihydroxy-17-methyl(5,7,8-2H3)-7,8-didehydro-4,5-epoxymorphinan-6-yl]ethanone [ACD/IUPAC Name]
1-[(5α,6α)-3,6-Dihydroxy-17-méthyl(5,7,8-2H3)-7,8-didéhydro-4,5-époxymorphinane-6-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(5α,6α)-7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17-methylmorphinan-6-yl-5,7,8-d3]- [ACD/Index Name]
6-ACETYLMORPHINE-D3

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

Density: 1.4±0.1 g/cm3
Boiling Point: 524.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 270.9±30.1 °C
Index of Refraction: 1.698
Molar Refractivity: 87.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.70
Polar Surface Area: 70 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 226.8±5.0 cm3

Click to predict properties on the Chemicalize site


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