ChemSpider 2D Image | (5beta,9alpha,13alpha,14alpha)-14-Hydroxy-3-[(~2~H_3_)methyloxy]-4,5-epoxymorphinan-6-one | C17H16D3NO4

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

  • Molecular FormulaC17H16D3NO4
  • Average mass304.355 Da
  • Monoisotopic mass304.150238 Da
  • ChemSpider ID111313468

  • 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-3-[(2H3)methyloxy]-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5β,9α,13α,14α)-14-Hydroxy-3-[(2H3)methyloxy]-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5β,9α,13α,14α)-14-Hydroxy-3-[(2H3)méthyloxy]-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 4,5-epoxy-14-hydroxy-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: 528.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 273.4±30.1 °C
Index of Refraction: 1.667
Molar Refractivity: 78.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.42
Polar Surface Area: 68 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 210.3±5.0 cm3

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