1,6-Di-O-Phosphono-D-Tagatose

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Properties Simple | Detailed

Formula C6H14O12P2
IUPAC Name [(2r,3s,4s)-2,3,4-trihydroxy-5-oxo-6-phosphonooxy-hexyl] dihydrogen phosphate
Molecular Mass 340.116 g·mol−1
Heat of Formation -2773.0 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 326.74 Å 3
Surface Area 307.9 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4s)-2,3,4-trihydroxy-5-keto-6-phosphonooxy-hexyl] dihydrogen phosphate
  • [(2r,3s,4s)-2,3,4-trihydroxy-5-oxo-6-phosphonooxy-hexyl] dihydrogen phosphate
  • [(2r,3s,4s)-2,3,4-trihydroxy-5-oxo-6-phosphonooxyhexyl] dihydrogen phosphate
  • d-tagatose 1,6-bis(dihydrogen phosphate)
  • d-tagatose 1,6-diphosphate
  • tagatose 1,6-diphosphate
CAS Number(s)
  • 55529-38-9
InChIKey XPYBSIWDXQFNMH-PQLUHFTBSA-N
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