ChemSpider 2D Image | 4-Hydroxy-3,7-dimethoxy-7,8-didehydromorphinan-6-one | C18H21NO4

4-Hydroxy-3,7-dimethoxy-7,8-didehydromorphinan-6-one

  • Molecular FormulaC18H21NO4
  • Average mass315.364 Da
  • Monoisotopic mass315.147064 Da
  • ChemSpider ID23326727

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-Hydroxy-3,7-dimethoxy-7,8-didehydromorphinan-6-on [German] [ACD/IUPAC Name]
4-Hydroxy-3,7-dimethoxy-7,8-didehydromorphinan-6-one [ACD/IUPAC Name]
4-Hydroxy-3,7-diméthoxy-7,8-didéhydromorphinane-6-one [French] [ACD/IUPAC Name]
Morphinan-6-one, 7,8-didehydro-4-hydroxy-3,7-dimethoxy- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL470653/
N-demethylsinomenine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 519.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 268.1±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 84.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.22
Polar Surface Area: 68 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 238.1±5.0 cm3

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