ChemSpider 2D Image | 18-(2-Hydroxy-2-pentanyl)-6-methoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol | C25H35NO4

18-(2-Hydroxy-2-pentanyl)-6-methoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

  • Molecular FormulaC25H35NO4
  • Average mass413.550 Da
  • Monoisotopic mass413.256622 Da
  • ChemSpider ID10606449

More details:

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

18-(2-Hydroxy-2-pentanyl)-6-methoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
18-(2-Hydroxy-2-pentanyl)-6-methoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
18-(2-Hydroxy-2-pentanyl)-6-méthoxy-17-méthyl-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
18-(2-Hydroxypentan-2-yl)-6-methoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol
6,14-Ethenomorphinan-3-ol, 4,5-epoxy-18,19-dihydro-18-(1-hydroxy-1-methylbutyl)-6-methoxy-17-methyl- [ACD/Index Name]
14357-76-7 [RN]
dihydroetorphine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 554.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 289.0±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 114.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.76
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 22.50
ACD/KOC (pH 7.4): 173.68
Polar Surface Area: 62 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 321.6±5.0 cm3

Click to predict properties on the Chemicalize site


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