Found 1 result

Search term: ZNZHQTVBMHBUCF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,2S,4S,5R)-1,4,5-Trihydroxy-3-oxo-2-(pentafluorobenzyl)cyclohexanecarboxylic acid | C14H11F5O6

(1R,2S,4S,5R)-1,4,5-Trihydroxy-3-oxo-2-(pentafluorobenzyl)cyclohexanecarboxylic acid

  • Molecular FormulaC14H11F5O6
  • Average mass370.226 Da
  • Monoisotopic mass370.047577 Da
  • ChemSpider ID35034839

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,4S,5R)-1,4,5-Trihydroxy-3-oxo-2-(pentafluorbenzyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1R,2S,4S,5R)-1,4,5-Trihydroxy-3-oxo-2-(pentafluorobenzyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
(1r,2s,4s,5r)-2-(2,3,4,5,6-Pentafluorophenyl)methyl-1,4,5-Trihydroxy-3-Oxocyclohexane-1-Carboxylic Acid
Acide (1R,2S,4S,5R)-1,4,5-trihydroxy-3-oxo-2-(pentafluorobenzyl)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 1,4,5-trihydroxy-3-oxo-2-[(2,3,4,5,6-pentafluorophenyl)methyl]-, (1R,2S,4S,5R)- [ACD/Index Name]
2HN

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

Density: 1.8±0.1 g/cm3
Boiling Point: 519.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 268.2±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 67.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): -2.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 203.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement