ChemSpider 2D Image | (5alpha)-17-Methyl-6-oxo-4,5-epoxymorphinan-3-yl acetate | C19H21NO4

(5α)-17-Methyl-6-oxo-4,5-epoxymorphinan-3-yl acetate

  • Molecular FormulaC19H21NO4
  • Average mass327.374 Da
  • Monoisotopic mass327.147064 Da
  • ChemSpider ID21106250
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(5α)-17-Methyl-6-oxo-4,5-epoxymorphinan-3-yl acetate [ACD/IUPAC Name]
(5α)-17-Methyl-6-oxo-4,5-epoxymorphinan-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α)-17-méthyl-6-oxo-4,5-époxymorphinane-3-yle [French] [ACD/IUPAC Name]
Morphinan-6-one, 3-(acetyloxy)-4,5-epoxy-17-methyl-, (5α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 494.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 252.8±28.7 °C
Index of Refraction: 1.634
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.67
Polar Surface Area: 56 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 241.3±5.0 cm3

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