2-Deoxy-2-Fluoro-6-O-Phosphono-D-Gluconic Acid

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Properties Simple | Detailed

Formula C6H12FO9P
IUPAC Name (2r,3s,4r,5r)-2-fluoro-3,4,5-trihydroxy-6-phosphonooxy-hexanoic acid
Molecular Mass 278.126 g·mol−1
Heat of Formation -2217.3 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 267.54 Å 3
Surface Area 237.1 Å 2
HOMO Energy -10.50 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r)-2-fluoro-3,4,5-trihydroxy-6-phosphonooxy-hexanoic acid
  • (2r,3s,4r,5r)-2-fluoro-3,4,5-trihydroxy-6-phosphonooxyhexanoic acid
  • 2-fdpg
  • 2-fluoro-2-deoxy-6-phosphogluconate
CAS Number(s)
  • 99257-07-5
InChIKey HPWDTWLWYRUEAR-TXICZTDVSA-N
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