ChemSpider 2D Image | 2-(3,6-Dimethoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-7-yl)-4-phenyl-2-butanol | C31H39NO4

2-(3,6-Dimethoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-7-yl)-4-phenyl-2-butanol

  • Molecular FormulaC31H39NO4
  • Average mass489.646 Da
  • Monoisotopic mass489.287903 Da
  • ChemSpider ID21106246
  • defined stereocentres - 4 of 7 defined stereocentres


More details:






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

2-(3,6-Dimethoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-7-yl)-4-phenyl-2-butanol [ACD/IUPAC Name]
2-(3,6-Dimethoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-7-yl)-4-phenyl-2-butanol [German] [ACD/IUPAC Name]
2-(3,6-Diméthoxy-17-méthyl-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-7-yl)-4-phényl-2-butanol [French] [ACD/IUPAC Name]
Benzenepropanol, α-(4,5-epoxy-18,19-dihydro-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl)-α-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 5.43
ACD/KOC (pH 5.5): 20.24
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 244.92
ACD/KOC (pH 7.4): 911.96
Polar Surface Area: 51 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 388.8±5.0 cm3

Click to predict properties on the Chemicalize site





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