ChemSpider 2D Image | (5alpha,17S)-3-Hydroxy-17-methyl-6-oxo-7,8-didehydro-4,5-epoxymorphinan-17-ium | C17H18NO3

(5α,17S)-3-Hydroxy-17-methyl-6-oxo-7,8-didehydro-4,5-epoxymorphinan-17-ium

  • Molecular FormulaC17H18NO3
  • Average mass284.329 Da
  • Monoisotopic mass284.128113 Da
  • ChemSpider ID26330891

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5α,17S)-3-Hydroxy-17-methyl-6-oxo-7,8-didehydro-4,5-epoxymorphinan-17-ium [German] [ACD/IUPAC Name]
(5α,17S)-3-Hydroxy-17-methyl-6-oxo-7,8-didehydro-4,5-epoxymorphinan-17-ium [ACD/IUPAC Name]
(5α,17S)-3-Hydroxy-17-méthyl-6-oxo-7,8-didéhydro-4,5-époxymorphinane-17-ium [French] [ACD/IUPAC Name]
Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-hydroxy-17-methyl-, conjugate acid, (5α,17S)- [ACD/Index Name]
3-hydroxy-17-methyl-7,8-didehydro-4,5-epoxy-5α-morphinan-17-ium-6-one
morphiniumone cation
morphiniumone(1+)
morphinone [Wiki]
morphinone cation
  • Miscellaneous

    • Chemical Class:

      The conjugate acid of morphinone arising from protonation of the tertiary amino group; major species at pH 7.3. ChEBI CHEBI:57728

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

Density:
Boiling Point: 482.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 245.6±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -1.51
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): 14.37
Polar Surface Area: 51 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement