ChemSpider 2D Image | Buprenophine beta-D-glucuronide | C35H49NO10

Buprenophine β-D-glucuronide

  • Molecular FormulaC35H49NO10
  • Average mass643.764 Da
  • Monoisotopic mass643.335632 Da
  • ChemSpider ID32696701

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

Buprenophine β-D-glucuronide
(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-3-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-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
(5β,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-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(5β,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-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
101224-22-0 [RN]
200-659-6 [EINECS]
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-3-yle [French] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de (5β,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-3-yle [French] [ACD/IUPAC Name]
BUPRENORPHINE 3-GLUCURONIDE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

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: 0.98
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.82
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

Click to predict properties on the Chemicalize site


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