ChemSpider 2D Image | Cholesterol glucuronide | C33H54O7

Cholesterol glucuronide

  • Molecular FormulaC33H54O7
  • Average mass562.778 Da
  • Monoisotopic mass562.386963 Da
  • ChemSpider ID24850131

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β)-Cholest-5-en-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
17435-78-8 [RN]
Acide β-D-glucopyranosiduronique de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Cholesterol glucuronide
β-D-Glucopyranosiduronic acid, (3β)-cholest-5-en-3-yl [ACD/Index Name]
(2S,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Cholesterol-D-glucoside

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

Density: 1.2±0.1 g/cm3
Boiling Point: 686.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.1±6.0 kJ/mol
Flash Point: 211.4±25.0 °C
Index of Refraction: 1.564
Molar Refractivity: 153.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.85
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 46.20
ACD/KOC (pH 5.5): 85.63
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 5.90
ACD/KOC (pH 7.4): 10.94
Polar Surface Area: 116 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 472.7±5.0 cm3

Click to predict properties on the Chemicalize site


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