(2R,3R,4R,5S)-2,3,4,5-Tetrahydroxy-6-Oxo-7-(Phosphonooxy)Heptyl Dihydrogen Phosphate

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Formula C7H16O13P2
IUPAC Name [(2r,3r,4r,5s)-2,3,4,5-tetrahydroxy-6-oxo-7-phosphonooxy-heptyl] dihydrogen phosphate
Molecular Mass 370.142 g·mol−1
Heat of Formation -3028.8 ± 16.7 kJ·mol−1
Dipole Moment 7.18 ± 1.08 D
Volume 359.98 Å 3
Surface Area 313.35 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4r,5s)-2,3,4,5-tetrahydroxy-6-keto-7-phosphonooxy-heptyl] dihydrogen phosphate
  • [(2r,3r,4r,5s)-2,3,4,5-tetrahydroxy-6-oxo-7-phosphonooxy-heptyl] dihydrogen phosphate
  • [(2r,3r,4r,5s)-2,3,4,5-tetrahydroxy-6-oxo-7-phosphonooxyheptyl] dihydrogen phosphate
  • altro heptulose 1,7-bisphosphate
  • altro-heptulose 1,7-biphosphate
  • d-altro-2-heptulose, 1,7-bis(dihydrogen phosphate)
  • d-altro-hept-2-ulose 1,7-bis(dihydrogen phosphate)
CAS Number(s)
  • 815-91-8
InChIKey OKHXOUGRECCASI-SHUUEZRQSA-N
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