ChemSpider 2D Image | (5beta,9alpha,13alpha,14alpha)-14-Hydroxy-17-(~2~H_3_)methyl-3-[(~2~H_3_)methyloxy]-4,5-epoxymorphinan-6-one | C18H15D6NO4

(5β,9α,13α,14α)-14-Hydroxy-17-(2H3)methyl-3-[(2H3)methyloxy]-4,5-epoxymorphinan-6-one

  • Molecular FormulaC18H15D6NO4
  • Average mass321.401 Da
  • Monoisotopic mass321.184723 Da
  • ChemSpider ID111313469

  • 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

(5β,9α,13α,14α)-14-Hydroxy-17-(2H3)methyl-3-[(2H3)methyloxy]-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5β,9α,13α,14α)-14-Hydroxy-17-(2H3)methyl-3-[(2H3)methyloxy]-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5β,9α,13α,14α)-14-Hydroxy-17-(2H3)méthyl-3-[(2H3)méthyloxy]-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 4,5-epoxy-14-hydroxy-17-(methyl-d3)-3-(methyl-d3-oxy)-, (5β,9α,13α,14α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 501.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 257.1±30.1 °C
Index of Refraction: 1.659
Molar Refractivity: 83.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.79
Polar Surface Area: 59 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 225.4±5.0 cm3

Click to predict properties on the Chemicalize site


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