ChemSpider 2D Image | 17-[(2,2,3,3-~2~H_4_)Cyclopropylmethyl]-3,14-dihydroxy-4,5-epoxymorphinan-6-one | C20H19D4NO4

17-[(2,2,3,3-2H4)Cyclopropylmethyl]-3,14-dihydroxy-4,5-epoxymorphinan-6-one

  • Molecular FormulaC20H19D4NO4
  • Average mass345.426 Da
  • Monoisotopic mass345.187805 Da
  • ChemSpider ID24022513

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

17-[(2,2,3,3-2H4)Cyclopropylmethyl]-3,14-dihydroxy-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
17-[(2,2,3,3-2H4)Cyclopropylmethyl]-3,14-dihydroxy-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
17-[(2,2,3,3-2H4)Cyclopropylméthyl]-3,14-dihydroxy-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 17-(cyclopropyl-2,2,3,3-d4-methyl)-4,5-epoxy-3,14-dihydroxy- [ACD/Index Name]
16590-41-3 [RN]
Naltrexone [BAN] [INN] [USAN] [Wiki]
Naltrexone-d4

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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