ChemSpider 2D Image | (6beta,9alpha,13alpha,14alpha)-4-[(4-Chlorobenzyl)oxy]-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-ol | C26H30ClNO4

(6β,9α,13α,14α)-4-[(4-Chlorobenzyl)oxy]-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-ol

  • Molecular FormulaC26H30ClNO4
  • Average mass455.974 Da
  • Monoisotopic mass455.186340 Da
  • ChemSpider ID30656999

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6β,9α,13α,14α)-4-[(4-Chlorbenzyl)oxy]-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-ol [German] [ACD/IUPAC Name]
(6β,9α,13α,14α)-4-[(4-Chlorobenzyl)oxy]-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-ol [ACD/IUPAC Name]
(6β,9α,13α,14α)-4-[(4-Chlorobenzyl)oxy]-3,7-diméthoxy-17-méthyl-7,8-didéhydromorphinane-6-ol [French] [ACD/IUPAC Name]
Morphinan-6-ol, 4-[(4-chlorophenyl)methoxy]-7,8-didehydro-3,7-dimethoxy-17-methyl-, (6β,9α,13α,14α)- [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: 619.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 328.7±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 125.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 10.56
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 79.79
ACD/KOC (pH 7.4): 534.49
Polar Surface Area: 51 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 348.6±5.0 cm3

Click to predict properties on the Chemicalize site


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