Found 1 result

Search term: 24850134 (Found by CSID)
ChemSpider 2D Image | Glycochenodeoxycholic acid 3-glucuronide | C32H51NO11

Glycochenodeoxycholic acid 3-glucuronide

  • Molecular FormulaC32H51NO11
  • Average mass625.747 Da
  • Monoisotopic mass625.346191 Da
  • ChemSpider ID24850134

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(2S,3S,4S,5R,6R)-6-{[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-{5-[(Carboxymethyl)amino]-5-oxo-2-pentanyl}-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy}-3,4,5-trihydroxytetrahy dro-2H-pyran-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,3S,4S,5R,6R)-6-{[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-{5-[(Carboxymethyl)amino]-5-oxo-2-pentanyl}-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy}-3,4,5-trihydroxytetrahy dro-2H-pyran-2-carboxylic acid [ACD/IUPAC Name]
79254-98-1 [RN]
Acide (2S,3S,4S,5R,6R)-6-{[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-{5-[(carboxyméthyl)amino]-5-oxo-2-pentanyl}-7-hydroxy-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthrén-3-yl]oxy}-3,4,5-trihydroxyt étrahydro-2H-pyrane-2-carboxylique [French] [ACD/IUPAC Name]
Glycochenodeoxycholic acid 3-glucuronide
β-D-Glucopyranosiduronic acid, (3α,5β,7α)-24-[(carboxymethyl)amino]-7-hydroxy-24-oxocholan-3-yl [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 856.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.4±6.0 kJ/mol
Flash Point: 471.6±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 156.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -3.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 459.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement