ChemSpider 2D Image | 1-[(5beta,14beta)-3,6-Dimethoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]ethanone | C23H27NO4

1-[(5β,14β)-3,6-Dimethoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]ethanone

  • Molecular FormulaC23H27NO4
  • Average mass381.465 Da
  • Monoisotopic mass381.194000 Da
  • ChemSpider ID58842050

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1-[(5β,14β)-3,6-Dimethoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]ethanon [German] [ACD/IUPAC Name]
1-[(5β,14β)-3,6-Dimethoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]ethanone [ACD/IUPAC Name]
1-[(5β,14β)-3,6-Diméthoxy-17-méthyl-7,8-didéhydro-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-18-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(5β,14β)-7,8-didehydro-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-18-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 519.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 268.0±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 104.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.60
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 13.25
ACD/KOC (pH 7.4): 165.81
Polar Surface Area: 48 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 290.5±5.0 cm3

Click to predict properties on the Chemicalize site


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