ChemSpider 2D Image | (5alpha,6beta,14beta,18R)-18-(2-Hydroxy-2-pentanyl)-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol | C25H33NO4

(5α,6β,14β,18R)-18-(2-Hydroxy-2-pentanyl)-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol

  • Molecular FormulaC25H33NO4
  • Average mass411.534 Da
  • Monoisotopic mass411.240967 Da
  • ChemSpider ID32818362

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(5α,6β,14β,18R)-18-(2-Hydroxy-2-pentanyl)-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
(5α,6β,14β,18R)-18-(2-Hydroxy-2-pentanyl)-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
(5α,6β,14β,18R)-18-(2-Hydroxy-2-pentanyl)-6-méthoxy-17-méthyl-7,8-didéhydro-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-ol [French] [ACD/IUPAC Name]
(5β,6β,14β,18R)-18-[(2S)-2-Hydroxy-2-pentanyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [German] [ACD/IUPAC Name]
(5β,6β,14β,18R)-18-[(2S)-2-Hydroxy-2-pentanyl]-6-methoxy-17-methyl-7,8-didehydro-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol [ACD/IUPAC Name]
(5β,6β,14β,18R)-18-[(2S)-2-Hydroxy-2-pentanyl]-6-méthoxy-17-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-(1-hydroxy-1-methylbutyl)-6-methoxy-17-methyl-, (5α,6β,14β,18R)- [ACD/Index 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-, (5β,6β,14β,18R)- [ACD/Index Name]
14521-96-1 [RN]
49685-91-8 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 549.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.3±3.0 kJ/mol
    Flash Point: 286.2±30.1 °C
    Index of Refraction: 1.650
    Molar Refractivity: 114.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.22
    ACD/LogD (pH 5.5): 0.75
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.17
    ACD/LogD (pH 7.4): 2.45
    ACD/BCF (pH 7.4): 30.31
    ACD/KOC (pH 7.4): 262.92
    Polar Surface Area: 62 Å2
    Polarizability: 45.5±0.5 10-24cm3
    Surface Tension: 60.9±5.0 dyne/cm
    Molar Volume: 314.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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