ChemSpider 2D Image | 4-Hydroxy-3-methoxy-17-methyl-7,8-didehydromorphinan-6-one | C18H21NO3

4-Hydroxy-3-methoxy-17-methyl-7,8-didehydromorphinan-6-one

  • Molecular FormulaC18H21NO3
  • Average mass299.364 Da
  • Monoisotopic mass299.152130 Da
  • ChemSpider ID28534308

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

4-Hydroxy-3-methoxy-17-methyl-7,8-didehydromorphinan-6-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-methoxy-17-methyl-7,8-didehydromorphinan-6-one [ACD/IUPAC Name]
4-Hydroxy-3-méthoxy-17-méthyl-7,8-didéhydromorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 7,8-didehydro-4-hydroxy-3-methoxy-17-methyl- [ACD/Index Name]
1217529-54-8 [RN]
7,8-Didehydro-4-hydroxy-3-methoxy-17-methylmorphinan-6-one
Thebainone

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 475.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.7±3.0 kJ/mol
    Flash Point: 241.3±28.7 °C
    Index of Refraction: 1.641
    Molar Refractivity: 83.3±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.01
    ACD/LogD (pH 5.5): -0.79
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.89
    ACD/BCF (pH 7.4): 2.01
    ACD/KOC (pH 7.4): 38.34
    Polar Surface Area: 50 Å2
    Polarizability: 33.0±0.5 10-24cm3
    Surface Tension: 58.7±5.0 dyne/cm
    Molar Volume: 231.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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