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ChemSpider 2D Image | Naltrexone-D3 | C20H20D3NO4

Naltrexone-D3

  • Molecular FormulaC20H20D3NO4
  • Average mass344.419 Da
  • Monoisotopic mass344.181549 Da
  • ChemSpider ID23936788

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5α)-17-[(1-2H)Cyclopropyl(2H2)methyl]-3,14-dihydroxy-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5α)-17-[(1-2H)Cyclopropyl(2H2)methyl]-3,14-dihydroxy-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α)-17-[(1-2H)Cyclopropyl(2H2)méthyl]-3,14-dihydroxy-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
1261080-26-5 [RN]
200-659-6 [EINECS]
Morphinan-6-one, 17-(cyclopropyl-1-d-methyl-d2)-4,5-epoxy-3,14-dihydroxy-, (5α)- [ACD/Index Name]
Naltrexone-D3
(4R,4aS,7aR,12bS)-3-[dideuterio-(1-deuteriocyclopropyl)methyl]-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
Naltrexone-D3missing

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

    Density: 1.5±0.0 g/cm3
    Boiling Point: 558.1±0.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.0 mmHg at 25°C
    Enthalpy of Vaporization: 88.4±0.0 kJ/mol
    Flash Point: 291.4±0.0 °C
    Index of Refraction: 1.709
    Molar Refractivity: 90.1±0.0 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.80
    ACD/LogD (pH 5.5): -0.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.82
    ACD/LogD (pH 7.4): 1.35
    ACD/BCF (pH 7.4): 4.90
    ACD/KOC (pH 7.4): 81.08
    Polar Surface Area: 70 Å2
    Polarizability: 35.7±0.0 10-24cm3
    Surface Tension: 77.1±0.0 dyne/cm
    Molar Volume: 230.9±0.0 cm3

    Click to predict properties on the Chemicalize site


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