ChemSpider 2D Image | (3alpha,5beta,7alpha)-7,24-Dihydroxy-24-oxocholan-3-yl D-glucopyranosiduronic acid | C30H48O10

(3α,5β,7α)-7,24-Dihydroxy-24-oxocholan-3-yl D-glucopyranosiduronic acid

  • Molecular FormulaC30H48O10
  • Average mass568.696 Da
  • Monoisotopic mass568.324768 Da
  • ChemSpider ID13628354

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

(3α,5β,7α)-7,24-Dihydroxy-24-oxocholan-3-yl D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3α,5β,7α)-7,24-Dihydroxy-24-oxocholan-3-yl-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
58814-71-4 [RN]
Acide D-glucopyranosiduronique de (3α,5β,7α)-7,24-dihydroxy-24-oxocholan-3-yle [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3-(D-glucopyranuronosyloxy)-7-hydroxy-, (3α,5β,7α)- [ACD/Index Name]
Chenodeoxycholic acid 3-glucuronide
(2S,3S,4S,5R)-6-{[(1S,2S,5R,7R,9R,10R,11S,14R,15R)-14-[(2R)-4-carboxybutan-2-yl]-9-hydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
(3α,5β,7α)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-β-D-glucopyranosiduronic acid

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

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

Density: 1.3±0.0 g/cm3
Boiling Point: 760.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 126.3±0.0 kJ/mol
Flash Point: 242.9±0.0 °C
Index of Refraction: 1.593
Molar Refractivity: 143.4±0.0 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.64
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 56.8±0.0 10-24cm3
Surface Tension: 65.5±0.0 dyne/cm
Molar Volume: 423.2±0.0 cm3

Click to predict properties on the Chemicalize site


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