ChemSpider 2D Image | (5alpha)-17-Allyl-3,14-dihydroxy-4,5-epoxymorphinan-6-one | C19H21NO4

(5α)-17-Allyl-3,14-dihydroxy-4,5-epoxymorphinan-6-one

  • Molecular FormulaC19H21NO4
  • Average mass327.374 Da
  • Monoisotopic mass327.147064 Da
  • ChemSpider ID98612387

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(5α)-17-Allyl-3,14-dihydroxy-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5α)-17-Allyl-3,14-dihydroxy-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α)-17-Allyl-3,14-dihydroxy-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propen-1-yl)-, (5α)- [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: 532.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 276.1±30.1 °C
Index of Refraction: 1.691
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.35
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 6.64
ACD/KOC (pH 7.4): 125.39
Polar Surface Area: 70 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 228.1±5.0 cm3

Click to predict properties on the Chemicalize site


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