ChemSpider 2D Image | (2beta,3beta,5beta,22R)-2,3,14,20,25-Pentahydroxy-6-oxocholest-7-en-22-yl glycolate | C29H46O9

(2β,3β,5β,22R)-2,3,14,20,25-Pentahydroxy-6-oxocholest-7-en-22-yl glycolate

  • Molecular FormulaC29H46O9
  • Average mass538.670 Da
  • Monoisotopic mass538.314209 Da
  • ChemSpider ID29212683

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2β,3β,5β,22R)-2,3,14,20,25-Pentahydroxy-6-oxocholest-7-en-22-yl glycolate [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,14,20,25-Pentahydroxy-6-oxocholest-7-en-22-ylglycolat [German] [ACD/IUPAC Name]
Acetic acid, 2-hydroxy-, (2β,3β,5β,22R)-2,3,14,20,25-pentahydroxy-6-oxocholest-7-en-22-yl ester [ACD/Index Name]
Glycolate de (2β,3β,5β,22R)-2,3,14,20,25-pentahydroxy-6-oxocholest-7-én-22-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 746.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.2±6.0 kJ/mol
Flash Point: 240.2±26.4 °C
Index of Refraction: 1.593
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.54
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.94
ACD/KOC (pH 5.5): 55.94
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.94
ACD/KOC (pH 7.4): 55.94
Polar Surface Area: 165 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 410.1±5.0 cm3

Click to predict properties on the Chemicalize site


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