Found 5 results

Search term: XNKPKLJCHQDNQO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5alpha,18R)-17-(3-Fluoropropyl)-18-(2-hydroxy-2-propanyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol | C25H34FNO4

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

  • Molecular FormulaC25H34FNO4
  • Average mass431.540 Da
  • Monoisotopic mass431.247192 Da
  • ChemSpider ID23131967

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(5α,18R)-17-(3-Fluoropropyl)-18-(2-hydroxy-2-propanyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
(5α,18R)-17-(3-Fluoropropyl)-18-(2-hydroxy-2-propanyl)-6-méthoxy-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
(5α,18R)-17-(3-fluoropropyl)-18-(2-hydroxypropan-2-yl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol
(5α,18R)-17-(3-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-fluoropropyl)-18,19-dihydro-18-(1-hydroxy-1-methylethyl)-6-methoxy-, (5α,18R)- [ACD/Index Name]
2-[3-(3-fluoropropyl)-11-hydroxy-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-2-propanol
2-[3-(3-fluoropropyl)-11-hydroxy-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-2-propanol(radiolabelled fluorine)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 568.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 297.6±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 115.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.29
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 40.28
ACD/KOC (pH 7.4): 348.89
Polar Surface Area: 62 Å2
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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