ChemSpider 2D Image | (6alpha)-17-[Cyclobutyl(~2~H_2_)methyl](6-~2~H)-4,5-epoxymorphinan-3,6,14-triol | C21H24D3NO4

(6α)-17-[Cyclobutyl(2H2)methyl](6-2H)-4,5-epoxymorphinan-3,6,14-triol

  • Molecular FormulaC21H24D3NO4
  • Average mass360.462 Da
  • Monoisotopic mass360.212830 Da
  • ChemSpider ID58782512
  • defined stereocentres - 4 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(6α)-17-[Cyclobutyl(2H2)methyl](6-2H)-4,5-epoxymorphinan-3,6,14-triol [German] [ACD/IUPAC Name]
(6α)-17-[Cyclobutyl(2H2)methyl](6-2H)-4,5-epoxymorphinan-3,6,14-triol [ACD/IUPAC Name]
(6α)-17-[Cyclobutyl(2H2)méthyl](6-2H)-4,5-époxymorphinane-3,6,14-triol [French] [ACD/IUPAC Name]
Morphinan-6-d-3,6,14-triol, 17-(cyclobutylmethyl-d2)-4,5-epoxy-, (6α)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 566.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 296.5±30.1 °C
Index of Refraction: 1.702
Molar Refractivity: 96.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.75
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 8.17
ACD/KOC (pH 7.4): 119.79
Polar Surface Area: 73 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 248.1±5.0 cm3

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