ChemSpider 2D Image | (9xi,10xi,13xi,17xi,22R)-14,25-Dihydroxy-6-oxocholest-7-ene-3,22-diyl diacetate | C31H48O7

(9ξ,10ξ,13ξ,17ξ,22R)-14,25-Dihydroxy-6-oxocholest-7-ene-3,22-diyl diacetate

  • Molecular FormulaC31H48O7
  • Average mass532.709 Da
  • Monoisotopic mass532.340027 Da
  • ChemSpider ID21472321

  • defined stereocentres - 3 of 9 defined stereocentres

More details:

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

(9ξ,10ξ,13ξ,17ξ,22R)-14,25-Dihydroxy-6-oxocholest-7-en-3,22-diyl-diacetat [German] [ACD/IUPAC Name]
(9ξ,10ξ,13ξ,17ξ,22R)-14,25-Dihydroxy-6-oxocholest-7-ene-3,22-diyl diacetate [ACD/IUPAC Name]
Cholest-7-en-6-one, 3,22-bis(acetyloxy)-14,25-dihydroxy-, (9ξ,10ξ,13ξ,17ξ,22R)- [ACD/Index Name]
Diacétate de (9ξ,10ξ,13ξ,17ξ,22R)-14,25-dihydroxy-6-oxocholest-7-ène-3,22-diyle [French] [ACD/IUPAC Name]
[(2S,3R)-2-[(14S)-3-ACETYLOXY-14-HYDROXY-10,13-DIMETHYL-6-OXO-2,3,4,5,9,11,12,15,16,17-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]-6-HYDROXY-6-METHYLHEPTAN-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: 635.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.6±6.0 kJ/mol
Flash Point: 196.6±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: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 755.18
ACD/KOC (pH 5.5): 3996.79
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 755.18
ACD/KOC (pH 7.4): 3996.79
Polar Surface Area: 110 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 455.7±5.0 cm3

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