ChemSpider 2D Image | (5alpha,9alpha,13alpha)-3-Hydroxy-17-methyl-14-(pentylamino)-7,8-didehydro-4,5-epoxymorphinan-6-one | C22H28N2O3

(5α,9α,13α)-3-Hydroxy-17-methyl-14-(pentylamino)-7,8-didehydro-4,5-epoxymorphinan-6-one

  • Molecular FormulaC22H28N2O3
  • Average mass368.469 Da
  • Monoisotopic mass368.209991 Da
  • ChemSpider ID114815349

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5α,9α,13α)-3-Hydroxy-17-methyl-14-(pentylamino)-7,8-didehydro-4,5-epoxymorphinan-6-on [German] [ACD/IUPAC Name]
(5α,9α,13α)-3-Hydroxy-17-methyl-14-(pentylamino)-7,8-didehydro-4,5-epoxymorphinan-6-one [ACD/IUPAC Name]
(5α,9α,13α)-3-Hydroxy-17-méthyl-14-(pentylamino)-7,8-didéhydro-4,5-époxymorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 7,8-didehydro-4,5-epoxy-3-hydroxy-17-methyl-14-(pentylamino)-, (5α,9α,13α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 280.9±30.1 °C
Index of Refraction: 1.646
Molar Refractivity: 103.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.27
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 37.85
ACD/KOC (pH 7.4): 362.73
Polar Surface Area: 62 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 284.9±5.0 cm3

Click to predict properties on the Chemicalize site


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