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

(5α,14β,18R)-18-[(2R)-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 ID58816046

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5α,14β,18R)-18-[(2R)-2-Hydroxy-2-pentanyl]-6-methoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
(5α,14β,18R)-18-[(2R)-2-Hydroxy-2-pentanyl]-6-methoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
(5α,14β,18R)-18-[(2R)-2-Hydroxy-2-pentanyl]-6-méthoxy-17-méthyl-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
6,14-Ethenomorphinan-3-ol, 4,5-epoxy-18,19-dihydro-18-[(1R)-1-hydroxy-1-methylbutyl]-6-methoxy-17-methyl-, (5α,14β,18R)- [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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