ChemSpider 2D Image | (5alpha,6beta,14beta,18R)-18-[(1R)-1-Cyclohexyl-1-hydroxyethyl]-17-(cyclopropylmethyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol | C31H43NO4

(5α,6β,14β,18R)-18-[(1R)-1-Cyclohexyl-1-hydroxyethyl]-17-(cyclopropylmethyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

  • Molecular FormulaC31H43NO4
  • Average mass493.677 Da
  • Monoisotopic mass493.319214 Da
  • ChemSpider ID29417884

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5α,6β,14β,18R)-18-[(1R)-1-Cyclohexyl-1-hydroxyethyl]-17-(cyclopropylmethyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
(5α,6β,14β,18R)-18-[(1R)-1-Cyclohexyl-1-hydroxyethyl]-17-(cyclopropylmethyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
(5α,6β,14β,18R)-18-[(1R)-1-Cyclohexyl-1-hydroxyéthyl]-17-(cyclopropylméthyl)-6-méthoxy-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
6,14-Ethenomorphinan-3-ol, 18-[(1R)-1-cyclohexyl-1-hydroxyethyl]-17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-6-methoxy-, (5α,6β,14β,18R)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 138.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 5.83
ACD/KOC (pH 5.5): 22.06
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 271.72
ACD/KOC (pH 7.4): 1027.50
Polar Surface Area: 62 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 381.9±5.0 cm3

Click to predict properties on the Chemicalize site


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