ChemSpider 2D Image | (1R,3R,5Z,7E)-1,25-Difluoro-9,10-secocholesta-5,7,10-trien-3-ol | C27H42F2O

(1R,3R,5Z,7E)-1,25-Difluoro-9,10-secocholesta-5,7,10-trien-3-ol

  • Molecular FormulaC27H42F2O
  • Average mass420.619 Da
  • Monoisotopic mass420.320374 Da
  • ChemSpider ID24823380

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,3R,5Z,7E)-1,25-Difluor-9,10-secocholesta-5,7,10-trien-3-ol [German] [ACD/IUPAC Name]
(1R,3R,5Z,7E)-1,25-Difluoro-9,10-secocholesta-5,7,10-trien-3-ol [ACD/IUPAC Name]
(1R,3R,5Z,7E)-1,25-Difluoro-9,10-sécocholesta-5,7,10-trién-3-ol [French] [ACD/IUPAC Name]
Cyclohexanol, 3-fluoro-5-[(2E)-2-[(1R,3aS,7aR)-1-(5-fluoro-1,5-dimethylhexyl)octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3R,5Z)- [ACD/Index Name]
(5Z,7E)-(1R,3R)-1,25-difluoro-9,10-seco-5,7,10(19)-cholestatriene-3-ol
1α,25-difluorovitamin D3

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

Density: 1.0±0.1 g/cm3
Boiling Point: 507.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.5±6.0 kJ/mol
Flash Point: 260.6±30.1 °C
Index of Refraction: 1.509
Molar Refractivity: 121.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.33
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 391250.50
ACD/KOC (pH 5.5): 350470.91
ACD/LogD (pH 7.4): 7.66
ACD/BCF (pH 7.4): 391250.50
ACD/KOC (pH 7.4): 350470.91
Polar Surface Area: 20 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 35.5±5.0 dyne/cm
Molar Volume: 407.2±5.0 cm3

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