ChemSpider 2D Image | (5alpha)-17-[(1-~2~H)Cyclopropyl(~2~H_2_)methyl]-6-methylene-4,5-epoxymorphinan-3,14-diol | C21H22D3NO3

(5α)-17-[(1-2H)Cyclopropyl(2H2)methyl]-6-methylene-4,5-epoxymorphinan-3,14-diol

  • Molecular FormulaC21H22D3NO3
  • Average mass342.447 Da
  • Monoisotopic mass342.202271 Da
  • ChemSpider ID24606071

  • 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]-6-methylen-4,5-epoxymorphinan-3,14-diol [German] [ACD/IUPAC Name]
(5α)-17-[(1-2H)Cyclopropyl(2H2)methyl]-6-methylene-4,5-epoxymorphinan-3,14-diol [ACD/IUPAC Name]
(5α)-17-[(1-2H)Cyclopropyl(2H2)méthyl]-6-méthylène-4,5-époxymorphinane-3,14-diol [French] [ACD/IUPAC Name]
Morphinan-3,14-diol, 17-(cyclopropyl-1-d-methyl-d2)-4,5-epoxy-6-methylene-, (5α)- [ACD/Index Name]
(5a)-17-(d3-Cyclopropylmethyl)-4,5-epoxy-6-methylenemorphinan-3,14-diol
[55096-26-9] [RN]
55096-26-9 [RN]
Nalmefene - d3
Nalmefene d3
QC7698000

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

UN2811 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 3971
      Deuterated nalmefene (Cat. No. 4085). Tocris Bioscience 3971
      Deuterated nalmefene. Nalmefene also available. Tocris Bioscience 3971
      Deuterated nalmefene; opioid receptor antagonist Tocris Bioscience 3971
      Miscellaneous/Non-selective Opioids Tocris Bioscience 3971
      Opioid Receptors Tocris Bioscience 3971

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

Density: 1.4±0.1 g/cm3
Boiling Point: 507.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 261.0±30.1 °C
Index of Refraction: 1.694
Molar Refractivity: 94.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.76
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 11.14
ACD/KOC (pH 7.4): 134.91
Polar Surface Area: 53 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 245.3±5.0 cm3

Click to predict properties on the Chemicalize site


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