ChemSpider 2D Image | (5alpha,6alpha)-17-(~2~H_3_)Methyl(15,15,16-~2~H_3_)-7,8-didehydro-4,5-epoxymorphinan-3,6-diol | C17H13D6NO3

(5α,6α)-17-(2H3)Methyl(15,15,16-2H3)-7,8-didehydro-4,5-epoxymorphinan-3,6-diol

  • Molecular FormulaC17H13D6NO3
  • Average mass291.375 Da
  • Monoisotopic mass291.174164 Da
  • ChemSpider ID48059918

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5α,6α)-17-(2H3)Methyl(15,15,16-2H3)-7,8-didehydro-4,5-epoxymorphinan-3,6-diol [German] [ACD/IUPAC Name]
(5α,6α)-17-(2H3)Methyl(15,15,16-2H3)-7,8-didehydro-4,5-epoxymorphinan-3,6-diol [ACD/IUPAC Name]
(5α,6α)-17-(2H3)Méthyl(15,15,16-2H3)-7,8-didéhydro-4,5-époxymorphinane-3,6-diol [French] [ACD/IUPAC Name]
1334606-17-5 [RN]
200-659-6 [EINECS]
Morphinan-15,15,16-d3-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(methyl-d3)-, (5α,6α)- [ACD/Index Name]
(4R,4aR,7S,7aR,12bS)-1,1,2-trideuterio-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Morphine-D6missing

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 476.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.9±3.0 kJ/mol
    Flash Point: 241.8±28.7 °C
    Index of Refraction: 1.719
    Molar Refractivity: 78.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.43
    ACD/LogD (pH 5.5): -1.82
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 8.43
    Polar Surface Area: 53 Å2
    Polarizability: 30.9±0.5 10-24cm3
    Surface Tension: 72.9±5.0 dyne/cm
    Molar Volume: 197.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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