1-O-Phosphono-D-Sorbose

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Properties Simple | Detailed

Formula C6H13O9P
IUPAC Name [(3r,4s,5r)-3,4,5,6-tetrahydroxy-2-oxo-hexyl] dihydrogen phosphate
Molecular Mass 260.136 g·mol−1
Heat of Formation -1971.5 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 265.58 Å 3
Surface Area 247.89 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • [(3r,4s,5r)-3,4,5,6-tetrahydroxy-2-keto-hexyl] dihydrogen phosphate
  • [(3r,4s,5r)-3,4,5,6-tetrahydroxy-2-oxo-hexyl] dihydrogen phosphate
  • [(3r,4s,5r)-3,4,5,6-tetrahydroxy-2-oxohexyl] dihydrogen phosphate
  • d-sorbose 1-(dihydrogen phosphate)
  • d-sorbose 1-phosphate
  • d-sorbose, 1-(dihydrogen phosphate)
  • d-xylo-hex-2-ulose 1-(dihydrogen phosphate)
  • sorbose-1-phosphate
CAS Number(s)
  • 2650-47-7
InChIKey ZKLLSNQJRLJIGT-PYWDMBMJSA-N
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