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

Norbuprenorphine-3-glucuronide

  • Molecular FormulaC31H43NO10
  • Average mass589.674 Da
  • Monoisotopic mass589.288696 Da
  • ChemSpider ID23977183

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

Date of deprecation: 15:29, Nov 19, 2015
Reason for deprecation: Deprecate record: 2 undefined stereocentres

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

(5α,6β,14β,18R)-18-(2-Hydroxy-3,3-dimethyl-2-butanyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl (5ξ)-β-D-lyxo-hexopyranosiduronic acid [ACD/IUPAC Name]
(5α,6β,14β,18R)-18-(2-Hydroxy-3,3-dimethyl-2-butanyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl-(5ξ)-β-D-lyxo-hexopyranosiduronsäure [German] [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 (5ξ)-β-D-lyxo-hexopyranosiduronic 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-(5ξ)-β-D-lyxo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
(5α,7β)-7-[(2R)-2-Hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl (5ξ)-β-D-lyxo-hexopyranosiduronic acid [ACD/IUPAC Name]
(5α,7β)-7-[(2R)-2-Hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl-(5ξ)-β-D-lyxo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
(5β,6β,14β,18R)-18-(2-Hydroxy-3,3-dimethyl-2-butanyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl (5ξ)-β-D-lyxo-hexopyranosiduronic acid [ACD/IUPAC Name]
(5β,6β,14β,18R)-18-(2-Hydroxy-3,3-dimethyl-2-butanyl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl-(5ξ)-β-D-lyxo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
(5β,7β)-7-[(2R)-2-Hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl (5ξ)-β-D-lyxo-hexopyranosiduronic acid [ACD/IUPAC Name]
(5β,7β)-7-[(2R)-2-Hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl-(5ξ)-β-D-lyxo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
More...

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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