ChemSpider 2D Image | Codeine-D6 | C18H15D6NO3

Codeine-D6

  • Molecular FormulaC18H15D6NO3
  • Average mass305.401 Da
  • Monoisotopic mass305.189789 Da
  • ChemSpider ID27523909

  • 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-3-[(2H3)methyloxy]-7,8-didehydro-4,5-epoxymorphinan-6-ol [German] [ACD/IUPAC Name]
(5α,6α)-17-(2H3)Methyl-3-[(2H3)methyloxy]-7,8-didehydro-4,5-epoxymorphinan-6-ol [ACD/IUPAC Name]
(5α,6α)-17-(2H3)Méthyl-3-[(2H3)méthyloxy]-7,8-didéhydro-4,5-époxymorphinane-6-ol [French] [ACD/IUPAC Name]
1007844-34-9 [RN]
200-659-6 [EINECS]
Codeine-D6
MFCD01076481 [MDL number]
Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-17-(methyl-d3)-3-(methyl-d3-oxy)-, (5α,6α)- [ACD/Index Name]
(4R,4aR,7S,7aR,12bS)-9-(trideuteriomethoxy)-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 462.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.2±3.0 kJ/mol
    Flash Point: 233.2±28.7 °C
    Index of Refraction: 1.667
    Molar Refractivity: 82.9±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.20
    ACD/LogD (pH 5.5): -1.40
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 12.73
    Polar Surface Area: 42 Å2
    Polarizability: 32.8±0.5 10-24cm3
    Surface Tension: 60.5±5.0 dyne/cm
    Molar Volume: 222.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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