ChemSpider 2D Image | MFCD00673257 | C19H18D3NO4

MFCD00673257

  • Molecular FormulaC19H18D3NO4
  • Average mass330.393 Da
  • Monoisotopic mass330.165894 Da
  • ChemSpider ID31045277

  • 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)-3-Hydroxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl acetate [ACD/IUPAC Name]
(5α,6α)-3-Hydroxy-17-(2H3)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl-acetat [German] [ACD/IUPAC Name]
136765-25-8 [RN]
200-835-2 [EINECS]
Acétate de (5α,6α)-3-hydroxy-17-(2H3)méthyl-7,8-didéhydro-4,5-époxymorphinane-6-yle [French] [ACD/IUPAC Name]
MFCD00673257
Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(methyl-d3)-, 6-acetate, (5α,6α)- [ACD/Index Name]
[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] acetate
6-Acetyl Morphine-d3
6-ACETYLMORPHINE-D3
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 470.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.1±3.0 kJ/mol
    Flash Point: 238.2±28.7 °C
    Index of Refraction: 1.666
    Molar Refractivity: 87.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.32
    ACD/LogD (pH 5.5): -0.87
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.82
    ACD/BCF (pH 7.4): 1.76
    ACD/KOC (pH 7.4): 34.78
    Polar Surface Area: 59 Å2
    Polarizability: 34.7±0.5 10-24cm3
    Surface Tension: 63.8±5.0 dyne/cm
    Molar Volume: 235.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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