(6R)-5-Acetamido-3,5-Dideoxy-3-Fluoro-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-α-L-Tagatopyranosonic Acid

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Formula C11H18FNO9
IUPAC Name (2r,3r,4r,5r,6r)-5-acetamido-3-fluoro-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 327.260 g·mol−1
Heat of Formation -1907.5 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 354.9 Å 3
Surface Area 302.14 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r,6r)-5-acetamido-3-fluoro-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • (2r,3r,4r,5r,6r)-5-acetamido-3-fluoro-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • (2r,3r,4r,5r,6r)-5-acetamido-3-fluoro-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
InChIKey ALJLGESFXXDPKH-RISWTRDCSA-N
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