ChemSpider 2D Image | (1S,3R,5Z,7E,14xi,23S)-26,26,26,27,27,27-Hexafluoro-9,10-secocholesta-5,7,10-triene-1,3,23,25-tetrol | C27H38F6O4

(1S,3R,5Z,7E,14ξ,23S)-26,26,26,27,27,27-Hexafluoro-9,10-secocholesta-5,7,10-triene-1,3,23,25-tetrol

  • Molecular FormulaC27H38F6O4
  • Average mass540.579 Da
  • Monoisotopic mass540.267456 Da
  • ChemSpider ID7983601

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(1S,3R,5Z,7E,14ξ,23S)-26,26,26,27,27,27-Hexafluor-9,10-secocholesta-5,7,10-trien-1,3,23,25-tetrol [German] [ACD/IUPAC Name]
(1S,3R,5Z,7E,14ξ,23S)-26,26,26,27,27,27-Hexafluoro-9,10-secocholesta-5,7,10-triene-1,3,23,25-tetrol [ACD/IUPAC Name]
(1S,3R,5Z,7E,14ξ,23S)-26,26,26,27,27,27-Hexafluoro-9,10-sécocholesta-5,7,10-triène-1,3,23,25-tétrol [French] [ACD/IUPAC Name]
1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,7aR)-octahydro-7a-methyl-1-[(1R,3S)-6,6,6-trifluoro-3,5-dihydroxy-1-methyl-5-(trifluoromethyl)hexyl]-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)- [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: 603.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 318.6±31.5 °C
Index of Refraction: 1.515
Molar Refractivity: 126.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 5.79
ACD/BCF (pH 5.5): 14775.25
ACD/KOC (pH 5.5): 33583.75
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 14668.24
ACD/KOC (pH 7.4): 33340.54
Polar Surface Area: 81 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 419.9±5.0 cm3

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