ChemSpider 2D Image | (2beta,3beta,5beta,22R)-2,3,14,20,25-Pentahydroxy-6-oxocholest-7-en-22-yl benzoate | C34H48O8

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

  • Molecular FormulaC34H48O8
  • Average mass584.740 Da
  • Monoisotopic mass584.334900 Da
  • ChemSpider ID9928259

  • 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 benzoate [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,14,20,25-Pentahydroxy-6-oxocholest-7-en-22-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (2β,3β,5β,22R)-2,3,14,20,25-pentahydroxy-6-oxocholest-7-én-22-yle [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 22-(benzoyloxy)-2,3,14,20,25-pentahydroxy-, (2β,3β,5β,22R)- [ACD/Index 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: 770.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 241.8±26.4 °C
Index of Refraction: 1.609
Molar Refractivity: 157.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 182.40
ACD/KOC (pH 5.5): 1445.58
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.40
ACD/KOC (pH 7.4): 1445.58
Polar Surface Area: 145 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 455.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement