ChemSpider 2D Image | (18R)-18-[(2S)-2-Hydroxy-2-pentanyl]-6-methoxy-17-(~11~C)methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol | C2411CH33NO4

(18R)-18-[(2S)-2-Hydroxy-2-pentanyl]-6-methoxy-17-(11C)methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

  • Molecular FormulaC2411CH33NO4
  • Average mass410.535 Da
  • Monoisotopic mass410.252380 Da
  • ChemSpider ID397288

  • defined stereocentres - 2 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(18R)-18-[(2S)-2-Hydroxy-2-pentanyl]-6-methoxy-17-(11C)methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
(18R)-18-[(2S)-2-Hydroxy-2-pentanyl]-6-methoxy-17-(11C)methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
(18R)-18-[(2S)-2-Hydroxy-2-pentanyl]-6-méthoxy-17-(11C)méthyl-7,8-didéhydro-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
6,14-Ethenomorphinan-3-ol, 7,8-didehydro-4,5-epoxy-18,19-dihydro-18-[(1S)-1-hydroxy-1-methylbutyl]-6-methoxy-17-(methyl-11C)-, (18R)- [ACD/Index Name]

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

MOLI001613 [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: 1.650
Molar Refractivity: 114.8±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: 45.5±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 314.9±5.0 cm3

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