Found 5 results

Search term: XNKPKLJCHQDNQO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5alpha,6beta,14beta,18R)-17-[3-(~18~F)Fluoropropyl]-18-(2-hydroxy-2-propanyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol | C25H3418FNO4

(5α,6β,14β,18R)-17-[3-(18F)Fluoropropyl]-18-(2-hydroxy-2-propanyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

  • Molecular FormulaC25H3418FNO4
  • Average mass430.543 Da
  • Monoisotopic mass430.249725 Da
  • ChemSpider ID58134168

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(5α,6β,14β,18R)-17-[3-(18F)Fluoropropyl]-18-(2-hydroxy-2-propanyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
(5α,6β,14β,18R)-17-[3-(18F)Fluoropropyl]-18-(2-hydroxy-2-propanyl)-6-méthoxy-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
(5α,6β,14β,18R)-17-[3-(18F)Fluorpropyl]-18-(2-hydroxy-2-propanyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
6,14-Ethenomorphinan-3-ol, 4,5-epoxy-17-[3-(fluoro-18F)propyl]-18,19-dihydro-18-(1-hydroxy-1-methylethyl)-6-methoxy-, (5α,6β,14β,18R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3350353/

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: 1.622
Molar Refractivity: 115.0±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 326.5±5.0 cm3

Click to predict properties on the Chemicalize site


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