ChemSpider 2D Image | (5alpha,8alpha,9alpha,13alpha,14alpha)-8-Chloro-17-methyl-6,7-didehydro-4,5-epoxymorphinan-3-ol | C17H18ClNO2

(5α,8α,9α,13α,14α)-8-Chloro-17-methyl-6,7-didehydro-4,5-epoxymorphinan-3-ol

  • Molecular FormulaC17H18ClNO2
  • Average mass303.783 Da
  • Monoisotopic mass303.102600 Da
  • ChemSpider ID111311480

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5α,8α,9α,13α,14α)-8-Chlor-17-methyl-6,7-didehydro-4,5-epoxymorphinan-3-ol [German] [ACD/IUPAC Name]
(5α,8α,9α,13α,14α)-8-Chloro-17-methyl-6,7-didehydro-4,5-epoxymorphinan-3-ol [ACD/IUPAC Name]
(5α,8α,9α,13α,14α)-8-Chloro-17-méthyl-6,7-didéhydro-4,5-époxymorphinane-3-ol [French] [ACD/IUPAC Name]
Morphinan-3-ol, 8-chloro-6,7-didehydro-4,5-epoxy-17-methyl-, (5α,8α,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: 455.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 229.4±28.7 °C
Index of Refraction: 1.695
Molar Refractivity: 81.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.94
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 5.32
ACD/KOC (pH 7.4): 85.89
Polar Surface Area: 33 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 211.6±5.0 cm3

Click to predict properties on the Chemicalize site


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