ChemSpider 2D Image | (5alpha,6beta,14beta,18R)-18-[(2R)-2-Hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl beta-D-glucopyranosiduronic acid | C31H43NO10

(5α,6β,14β,18R)-18-[(2R)-2-Hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC31H43NO10
  • Average mass589.674 Da
  • Monoisotopic mass589.288696 Da
  • ChemSpider ID32696908

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(5α,6β,14β,18R)-18-[(2R)-2-Hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(5α,6β,14β,18R)-18-[(2R)-2-Hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (5α,6β,14β,18R)-18-[(2R)-2-hydroxy-3,3-diméthyl-2-butanyl]-6-méthoxy-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, (5α,6β,14β,18R)-4,5-epoxy-18,19-dihydro-18-[(1R)-1-hydroxy-1,2,2-trimethylpropyl]-6-methoxy-6,14-ethenomorphinan-3-yl [ACD/Index Name]
(5a,7a)-4,5-Epoxy-18,19-dihydro-7-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-6-methoxy-6,14-ethenomorphinan-3-yl-D-glucopyranosiduronica cid
469887-29-4 [RN]
MFCD18252500 [MDL number]
Norbuprenorphine 3-b-D-glucuronide
NORBUPRENORPHINE 3-β-D-GLUCURONIDE

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.656
    Molar Refractivity: 148.5±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 6
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 3
    ACD/LogP: -0.22
    ACD/LogD (pH 5.5): -1.67
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.68
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 167 Å2
    Polarizability: 58.9±0.5 10-24cm3
    Surface Tension: 74.5±5.0 dyne/cm
    Molar Volume: 404.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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