ChemSpider 2D Image | (13alpha)-4-Hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one | C19H21NO4

(13α)-4-Hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one

  • Molecular FormulaC19H21NO4
  • Average mass327.374 Da
  • Monoisotopic mass327.147064 Da
  • ChemSpider ID65095622

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(13α)-4-Hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-on [German] [ACD/IUPAC Name]
(13α)-4-Hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one [ACD/IUPAC Name]
(13α)-4-Hydroxy-3,6-diméthoxy-17-méthyl-5,6,8,14-tétradéhydromorphinane-7-one [French] [ACD/IUPAC Name]
Morphinan-7-one, 5,6,8,14-tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-, (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: 532.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 275.8±30.1 °C
Index of Refraction: 1.646
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 17.37
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.50
ACD/KOC (pH 7.4): 179.42
Polar Surface Area: 59 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 245.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement