1-O-Phosphono-D-Threo-Hexo-2,5-Diulose

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Properties Simple | Detailed

Formula C6H11O9P
IUPAC Name [(3s,4s)-3,4,6-trihydroxy-2,5-dioxo-hexyl] dihydrogen phosphate
Molecular Mass 258.120 g·mol−1
Heat of Formation -1914.4 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 261.5 Å 3
Surface Area 239.74 Å 2
HOMO Energy -10.27 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,4s)-3,4,6-trihydroxy-2,5-diketo-hexyl] dihydrogen phosphate
  • [(3s,4s)-3,4,6-trihydroxy-2,5-dioxo-hexyl] dihydrogen phosphate
  • [(3s,4s)-3,4,6-trihydroxy-2,5-dioxohexyl] dihydrogen phosphate
  • d-2,5-hexodiulose 1-phosphate
  • d-5-ketofructose 1-phosphate
  • d-threo-2,5-hexodiulose, 1-(dihydrogen phosphate)
CAS Number(s)
  • 16808-78-9
InChIKey CGTIRLTVLBQMKR-PHDIDXHHSA-N
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