Found 7 results

Search term: XFSMSJCDVCOESF (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (3S,4S,5R,6S)-6-Fluoro-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid | C7H9FO5

(3S,4S,5R,6S)-6-Fluoro-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid

  • Molecular FormulaC7H9FO5
  • Average mass192.142 Da
  • Monoisotopic mass192.043396 Da
  • ChemSpider ID61314405
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(3S,4S,5R,6S)-6-Fluor-3,4,5-trihydroxy-1-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(3S,4S,5R,6S)-6-Fluoro-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 6-fluoro-3,4,5-trihydroxy-, (3S,4S,5R,6S)- [ACD/Index Name]
Acide (3S,4S,5R,6S)-6-fluoro-3,4,5-trihydroxy-1-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]
127126-83-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 401.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.4±6.0 kJ/mol
Flash Point: 196.7±28.7 °C
Index of Refraction: 1.587
Molar Refractivity: 38.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -2.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 114.2±5.0 cm3

Click to predict properties on the Chemicalize site






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