ChemSpider 2D Image | (1S,3R,5Z,7E,24S)-25-Fluoro-9,10-secocholesta-5,7,10-triene-1,3,24-triol | C27H43FO3

(1S,3R,5Z,7E,24S)-25-Fluoro-9,10-secocholesta-5,7,10-triene-1,3,24-triol

  • Molecular FormulaC27H43FO3
  • Average mass434.627 Da
  • Monoisotopic mass434.319611 Da
  • ChemSpider ID24823379

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3R,5Z,7E,24S)-25-Fluor-9,10-secocholesta-5,7,10-trien-1,3,24-triol [German] [ACD/IUPAC Name]
(1S,3R,5Z,7E,24S)-25-Fluoro-9,10-secocholesta-5,7,10-triene-1,3,24-triol [ACD/IUPAC Name]
(1S,3R,5Z,7E,24S)-25-Fluoro-9,10-sécocholesta-5,7,10-triène-1,3,24-triol [French] [ACD/IUPAC Name]
1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(4S)-5-fluoro-4-hydroxy-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)- [ACD/Index Name]
(5Z,7E)-(1S,3R,24S)-24-fluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol
1,24-Dihydroxy-25-fluorovitamin D3

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

Density: 1.1±0.1 g/cm3
Boiling Point: 579.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.5±6.0 kJ/mol
Flash Point: 304.0±30.1 °C
Index of Refraction: 1.539
Molar Refractivity: 124.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6870.13
ACD/KOC (pH 5.5): 19412.91
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6870.13
ACD/KOC (pH 7.4): 19412.91
Polar Surface Area: 61 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 397.4±5.0 cm3

Click to predict properties on the Chemicalize site


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