ChemSpider 2D Image | 17,26-Dihydroxy-22-oxocholest-5-ene-3,16-diyl diacetate | C31H48O7

17,26-Dihydroxy-22-oxocholest-5-ene-3,16-diyl diacetate

  • Molecular FormulaC31H48O7
  • Average mass532.709 Da
  • Monoisotopic mass532.340027 Da
  • ChemSpider ID505151

More details:

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

17,26-Dihydroxy-22-oxocholest-5-en-3,16-diyl-diacetat [German] [ACD/IUPAC Name]
17,26-Dihydroxy-22-oxocholest-5-ene-3,16-diyl diacetate [ACD/IUPAC Name]
Cholest-5-en-22-one, 3,16-bis(acetyloxy)-17,26-dihydroxy- [ACD/Index Name]
Diacétate de 17,26-dihydroxy-22-oxocholest-5-ène-3,16-diyle [French] [ACD/IUPAC Name]
(20S,25R)-Cholest-5-en-22-one, 3,16-bis(acetyloxy)-17,27-dihydroxy-, (3β,16α,17α)-
16-(Acetyloxy)-17,26-dihydroxy-22-oxocholest-5-en-3-yl acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 633.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.3±6.0 kJ/mol
Flash Point: 195.8±25.0 °C
Index of Refraction: 1.544
Molar Refractivity: 143.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1616.15
ACD/KOC (pH 5.5): 6890.17
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1616.15
ACD/KOC (pH 7.4): 6890.16
Polar Surface Area: 110 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 455.9±5.0 cm3

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