ChemSpider 2D Image | (9alpha,13alpha,14alpha)-(1,2,4-~2~H_3_)Morphinan-3-ol | C16H18D3NO

(9α,13α,14α)-(1,2,4-2H3)Morphinan-3-ol

  • Molecular FormulaC16H18D3NO
  • Average mass246.363 Da
  • Monoisotopic mass246.181152 Da
  • ChemSpider ID48058567

  • 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

(9α,13α,14α)-(1,2,4-2H3)Morphinan-3-ol [German] [ACD/IUPAC Name]
(9α,13α,14α)-(1,2,4-2H3)Morphinan-3-ol [ACD/IUPAC Name]
(9α,13α,14α)-(1,2,4-2H3)Morphinane-3-ol [French] [ACD/IUPAC Name]
Morphinan-1,2,4-d3-3-ol, (9α,13α,14α)- [ACD/Index Name]
873691-34-0 [RN]
N-Desmethyl Dextrorphan-d3

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 422.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.3±3.0 kJ/mol
    Flash Point: 158.2±19.4 °C
    Index of Refraction: 1.626
    Molar Refractivity: 72.1±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.21
    ACD/LogD (pH 5.5): -0.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.46
    Polar Surface Area: 32 Å2
    Polarizability: 28.6±0.5 10-24cm3
    Surface Tension: 53.0±5.0 dyne/cm
    Molar Volume: 203.7±5.0 cm3

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