ChemSpider 2D Image | (5alpha)-3,6-Dimethoxy-17-(~2~H_3_)methyl-6,7,8,14-tetradehydro-4,5-epoxymorphinan | C19H18D3NO3

(5α)-3,6-Dimethoxy-17-(2H3)methyl-6,7,8,14-tetradehydro-4,5-epoxymorphinan

  • Molecular FormulaC19H18D3NO3
  • Average mass314.393 Da
  • Monoisotopic mass314.170959 Da
  • ChemSpider ID48061276

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5α)-3,6-Dimethoxy-17-(2H3)methyl-6,7,8,14-tetradehydro-4,5-epoxymorphinan [German] [ACD/IUPAC Name]
(5α)-3,6-Dimethoxy-17-(2H3)methyl-6,7,8,14-tetradehydro-4,5-epoxymorphinan [ACD/IUPAC Name]
(5α)-3,6-Diméthoxy-17-(2H3)méthyl-6,7,8,14-tétradéhydro-4,5-époxymorphinane [French] [ACD/IUPAC Name]
Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-(methyl-d3)-, (5α)- [ACD/Index Name]
782491-54-7 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 467.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.0±3.0 kJ/mol
    Flash Point: 141.1±25.9 °C
    Index of Refraction: 1.649
    Molar Refractivity: 87.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.40
    ACD/LogD (pH 5.5): 0.50
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.85
    ACD/LogD (pH 7.4): 2.11
    ACD/BCF (pH 7.4): 19.58
    ACD/KOC (pH 7.4): 235.19
    Polar Surface Area: 31 Å2
    Polarizability: 34.6±0.5 10-24cm3
    Surface Tension: 53.9±5.0 dyne/cm
    Molar Volume: 239.4±5.0 cm3

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