(1R,4S,5R)-3-Fluoro-1,4,5-Trihydroxy-2-Cyclohexene-1-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C7H9FO5
IUPAC Name (1r,4s,5r)-3-fluoro-1,4,5-trihydroxy-cyclohex-2-ene-1-carboxylic acid
Molecular Mass 192.142 g·mol−1
Heat of Formation -1091.7 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 201.86 Å 3
Surface Area 192.04 Å 2
HOMO Energy -10.74 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4s,5r)-3-fluoro-1,4,5-trihydroxy-1-cyclohex-2-enecarboxylic acid
  • (1r,4s,5r)-3-fluoro-1,4,5-trihydroxy-cyclohex-2-ene-1-carboxylic acid
  • (1r,4s,5r)-3-fluoro-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid
  • 2-anhydro-3-fluoro-quinic acid
  • 2-cyclohexene-1-carboxylic acid, 3-fluoro-1,4,5-trihydroxy-, (1r,4s,5r)-
  • fa3
InChIKey DGZQZSSRYAJDAX-XAHCXIQSSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O F