(2S,3R,4S,5R,6S)-2,3,4,5,6-Pentahydroxy-7-Oxo-8-(Phosphonooxy)Octyl Dihydrogen Phosphate

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Formula C8H18O14P2
IUPAC Name [(2s,3r,4s,5r,6s)-2,3,4,5,6-pentahydroxy-7-oxo-8-phosphonooxy-octyl] dihydrogen phosphate
Molecular Mass 400.168 g·mol−1
Heat of Formation -3240.3 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 396.37 Å 3
Surface Area 307.88 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3r,4s,5r,6s)-2,3,4,5,6-pentahydroxy-7-keto-8-phosphonooxy-octyl] dihydrogen phosphate
  • [(2s,3r,4s,5r,6s)-2,3,4,5,6-pentahydroxy-7-oxo-8-phosphonooxy-octyl] dihydrogen phosphate
  • [(2s,3r,4s,5r,6s)-2,3,4,5,6-pentahydroxy-7-oxo-8-phosphonooxyoctyl] dihydrogen phosphate
  • d-glycero-d-ido-2-octulose, 1,8-bis(dihydrogen phosphate)
  • d-glycero-d-ido-octulose 1,8-bisphosphate
CAS Number(s)
  • 70005-40-2
InChIKey FQNLKWXILWAYPZ-JVEFNUALSA-N
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