ChemSpider 2D Image | (5alpha,17S)-3-Methoxy-17-methyl-6-oxo-7,8-didehydro-4,5-epoxymorphinan-17-ium | C18H20NO3

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

  • Molecular FormulaC18H20NO3
  • Average mass298.356 Da
  • Monoisotopic mass298.143768 Da
  • ChemSpider ID26331194

  • 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-Methoxy-17-methyl-6-oxo-7,8-didehydro-4,5-epoxymorphinan-17-ium [German] [ACD/IUPAC Name]
(5α,17S)-3-Methoxy-17-methyl-6-oxo-7,8-didehydro-4,5-epoxymorphinan-17-ium [ACD/IUPAC Name]
(5α,17S)-3-Méthoxy-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-methoxy-17-methyl-, conjugate acid, (5α,17S)- [ACD/Index Name]
3-methoxy-17-methyl-7,8-didehydro-4,5α-epoxymorphinan-17-ium-6-one
codeinone [Wiki]
codeinone cation
codeinone(1+)

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

Density:
Boiling Point: 466.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.1±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.77
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement