ChemSpider 2D Image | Buprenorphine b-D-Glucuronide | C35H49NO10

Buprenorphine b-D-Glucuronide

  • Molecular FormulaC35H49NO10
  • Average mass643.764 Da
  • Monoisotopic mass643.335632 Da
  • ChemSpider ID113341
  • defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(5α,6β,14β,18R)-17-(Cyclopropylmethyl)-18-[(2S)-2-hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-2-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(5α,6β,14β,18R)-17-(Cyclopropylmethyl)-18-[(2S)-2-hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-2-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (5α,6β,14β,18R)-17-(cyclopropylméthyl)-18-[(2S)-2-hydroxy-3,3-diméthyl-2-butanyl]-6-méthoxy-18,19-dihydro-4,5-époxy-6,14-éthénomorphinane-2-yle [French] [ACD/IUPAC Name]
Buprenorphine b-D-Glucuronide
β-D-Glucopyranosiduronic acid, (5α,6β,14β,18R)-17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-18-[(1S)-1-hydroxy-1,2,2-trimethylpropyl]-6-methoxy-6,14-ethenomorphinan-2-yl [ACD/Index Name]
101224-22-0 [RN]
β-D-Glucopyranosiduronic acid, (5α,7α-(S))-17-(cyclopropylmethyl)-4,5-epoxy-18,19-dihydro-7-(1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-ethenomorphinan-3-yl

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 165.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 449.1±5.0 cm3

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