ChemSpider 2D Image | (3beta,5alpha)-25,26,26,26,27,27,27-Heptafluoro-3-hydroxycholest-8(14)-en-15-one | C27H37F7O2

(3β,5α)-25,26,26,26,27,27,27-Heptafluoro-3-hydroxycholest-8(14)-en-15-one

  • Molecular FormulaC27H37F7O2
  • Average mass526.570 Da
  • Monoisotopic mass526.268188 Da
  • ChemSpider ID117340

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,5α)-25,26,26,26,27,27,27-Heptafluor-3-hydroxycholest-8(14)-en-15-on [German] [ACD/IUPAC Name]
(3β,5α)-25,26,26,26,27,27,27-Heptafluoro-3-hydroxycholest-8(14)-en-15-one [ACD/IUPAC Name]
(3β,5α)-25,26,26,26,27,27,27-Heptafluoro-3-hydroxycholest-8(14)-én-15-one [French] [ACD/IUPAC Name]
Cholest-8(14)-en-15-one, 25,26,26,26,27,27,27-heptafluoro-3-hydroxy-, (3β,5α)- [ACD/Index Name]
(3S,5S,9R,10S,13R,17R)-3-Hydroxy-10,13-dimethyl-17-[(2R)-6,7,7,7-tetrafluoro-6-(trifluoromethyl)heptan-2-yl]-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
153463-20-8 [RN]
25,26,26,26,27,27,27-Heptafluoro-3-hydroxycholest-8(14)-en-15-one (3β,5α)-
3-Hhceo
3-Hydroxy-25,26,26,26,27,27,27-heptafluoro-5-cholest-8(14)-en-15-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 499.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.4±6.0 kJ/mol
Flash Point: 255.6±28.7 °C
Index of Refraction: 1.484
Molar Refractivity: 120.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 6.92
ACD/BCF (pH 5.5): 106202.20
ACD/KOC (pH 5.5): 137811.38
ACD/LogD (pH 7.4): 6.92
ACD/BCF (pH 7.4): 106202.20
ACD/KOC (pH 7.4): 137811.38
Polar Surface Area: 37 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 35.5±5.0 dyne/cm
Molar Volume: 422.4±5.0 cm3

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