(6S)-3-Deoxy-3-Fluoro-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-α-L-Tagatopyranosonic Acid

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Formula C9H15FO9
IUPAC Name (2r,3r,4r,5r,6s)-3-fluoro-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 286.208 g·mol−1
Heat of Formation -1899.0 ± 16.7 kJ·mol−1
Dipole Moment 1.02 ± 1.08 D
Volume 298.43 Å 3
Surface Area 259.04 Å 2
HOMO Energy -10.63 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r,6s)-3-fluoro-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • (2r,3r,4r,5r,6s)-3-fluoro-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • (2r,3r,4r,5r,6s)-3-fluoro-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • fkd
InChIKey KOWJBKIDVGQXJZ-QMFVTVPYSA-N
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