ChemSpider 2D Image | (9alpha,14alpha)-17-(~2~H_3_)Methyl-3-[(~2~H_3_)methyloxy]morphinan | C18H19D6NO

(9α,14α)-17-(2H3)Methyl-3-[(2H3)methyloxy]morphinan

  • Molecular FormulaC18H19D6NO
  • Average mass277.434 Da
  • Monoisotopic mass277.231262 Da
  • ChemSpider ID64849327
  • defined stereocentres - 2 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(9α,14α)-17-(2H3)Methyl-3-[(2H3)methyloxy]morphinan [German] [ACD/IUPAC Name]
(9α,14α)-17-(2H3)Methyl-3-[(2H3)methyloxy]morphinan [ACD/IUPAC Name]
(9α,14α)-17-(2H3)Méthyl-3-[(2H3)méthyloxy]morphinane [French] [ACD/IUPAC Name]
Morphinan, 17-(methyl-d3)-3-(methyl-d3-oxy)-, (9α,14α)- [ACD/Index Name]
1079043-55-2 [RN]
AVP-768

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 394.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 116.2±30.2 °C
    Index of Refraction: 1.585
    Molar Refractivity: 81.8±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 4.11
    ACD/LogD (pH 5.5): 0.59
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.17
    ACD/LogD (pH 7.4): 1.86
    ACD/BCF (pH 7.4): 5.90
    ACD/KOC (pH 7.4): 40.21
    Polar Surface Area: 12 Å2
    Polarizability: 32.4±0.5 10-24cm3
    Surface Tension: 44.9±5.0 dyne/cm
    Molar Volume: 243.8±5.0 cm3

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