ChemSpider 2D Image | (5alpha)-14-Hydroxy-3-[(~2~H_3_)methyloxy]-4,5-epoxymorphinan-6-one | C17H16D3NO4

(5α)-14-Hydroxy-3-[(2H3)methyloxy]-4,5-epoxymorphinan-6-one

  • Molecular FormulaC17H16D3NO4
  • Average mass304.355 Da
  • Monoisotopic mass304.150238 Da
  • ChemSpider ID48062369
  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(5α)-14-Hydroxy-3-[(2H3)methyloxy]-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5α)-14-Hydroxy-3-[(2H3)methyloxy]-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α)-14-Hydroxy-3-[(2H3)méthyloxy]-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-(methyl-d3-oxy)-, (5α)- [ACD/Index Name]
(4R,4aS,7aR,12bS)-4a-hydroxy-9-(trideuteriomethoxy)-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
1007844-32-7 [RN]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.4±0.1 g/cm3
    Boiling Point: 528.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.6±3.0 kJ/mol
    Flash Point: 273.4±30.1 °C
    Index of Refraction: 1.667
    Molar Refractivity: 78.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.11
    ACD/LogD (pH 5.5): -2.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.70
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.42
    Polar Surface Area: 68 Å2
    Polarizability: 31.0±0.5 10-24cm3
    Surface Tension: 66.5±5.0 dyne/cm
    Molar Volume: 210.3±5.0 cm3

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