ChemSpider 2D Image | (5alpha,6beta,14beta,18R)-17-[Cyclopropyl(~11~C)methyl]-18-(2-hydroxy-2-propanyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol | C2511CH35NO4

(5α,6β,14β,18R)-17-[Cyclopropyl(11C)methyl]-18-(2-hydroxy-2-propanyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

  • Molecular FormulaC2511CH35NO4
  • Average mass424.561 Da
  • Monoisotopic mass424.268036 Da
  • ChemSpider ID397292

  • defined stereocentres - 4 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-[Cyclopropyl(11C)methyl]-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-[Cyclopropyl(11C)methyl]-18-(2-hydroxy-2-propanyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
(5α,6β,14β,18R)-17-[Cyclopropyl(11C)méthyl]-18-(2-hydroxy-2-propanyl)-6-méthoxy-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
6,14-Ethenomorphinan-3-ol, 17-(cyclopropylmethyl-11C)-4,5-epoxy-18,19-dihydro-18-(1-hydroxy-1-methylethyl)-6-methoxy-, (5α,6β,14β,18R)- [ACD/Index Name]

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

MOLI001617 [DBID]

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: 1.656
Molar Refractivity: 117.5±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: 46.6±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 319.6±5.0 cm3

Click to predict properties on the Chemicalize site


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