ChemSpider 2D Image | (3R)-1-(beta-D-Glucopyranuronosyl)-3-({[(1S)-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}oxy)-1-azoniabicyclo[2.2.2]octane | C29H35N2O8

(3R)-1-(β-D-Glucopyranuronosyl)-3-({[(1S)-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}oxy)-1-azoniabicyclo[2.2.2]octane

  • Molecular FormulaC29H35N2O8
  • Average mass539.596 Da
  • Monoisotopic mass539.238770 Da
  • ChemSpider ID52083146

  • Charge - Charge

    defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(3R)-1-(β-D-Glucopyranuronosyl)-3-({[(1S)-1-phenyl-3,4-dihydro-2(1H)-isochinolinyl]carbonyl}oxy)-1-azoniabicyclo[2.2.2]octan [German] [ACD/IUPAC Name]
(3R)-1-(β-D-Glucopyranuronosyl)-3-({[(1S)-1-phényl-3,4-dihydro-2(1H)-isoquinoléinyl]carbonyl}oxy)-1-azoniabicyclo[2.2.2]octane [French] [ACD/IUPAC Name]
(3R)-1-(β-D-Glucopyranuronosyl)-3-({[(1S)-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}oxy)-1-azoniabicyclo[2.2.2]octane [ACD/IUPAC Name]
1-Azoniabicyclo[2.2.2]octane, 3-[[[(1S)-3,4-dihydro-1-phenyl-2(1H)-isoquinolinyl]carbonyl]oxy]-1-β-D-glucopyranuronosyl-, (3R)- [ACD/Index Name]
SOLIFENACIN N1-GLUCURONIDE
UNII:SLB9733RQR

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.48
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.48
Polar Surface Area: 137 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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