ChemSpider 2D Image | Norbuprenorphine-3-beta-D-glucuronide | C31H43NO10

Norbuprenorphine-3-β-D-glucuronide

  • Molecular FormulaC31H43NO10
  • Average mass589.674 Da
  • Monoisotopic mass589.288696 Da
  • ChemSpider ID35517741
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

Norbuprenorphine-3-β-D-glucuronide
(5α,6β,14β,18R)-18-[(2S)-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-[(2S)-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]
469887-29-4 [RN]
Acide β-D-glucopyranosiduronique de (5α,6β,14β,18R)-18-[(2S)-2-hydroxy-3,3-diméthyl-2-butanyl]-6-méthoxy-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-3-yle [French] [ACD/IUPAC Name]
Norbuprenorphine-3-glucuronide [Wiki]
YPZ2R0PR50
β-D-Glucopyranosiduronic acid, (5α,6β,14β,18R)-4,5-epoxy-18,19-dihydro-18-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-6-methoxy-6,14-ethenomorphinan-3-yl [ACD/Index Name]
NORBUPRENORPHINE 3-GLUCURONIDE
UNII:YPZ2R0PR50

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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