6-O-Phosphono-D-Tagatose

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Properties Simple | Detailed

Formula C6H13O9P
IUPAC Name [(2r,3s,4s)-2,3,4,6-tetrahydroxy-5-oxo-hexyl] dihydrogen phosphate
Molecular Mass 260.136 g·mol−1
Heat of Formation -1975.8 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 265.57 Å 3
Surface Area 250.44 Å 2
HOMO Energy -10.35 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4s)-2,3,4,6-tetrahydroxy-5-keto-hexyl] dihydrogen phosphate
  • [(2r,3s,4s)-2,3,4,6-tetrahydroxy-5-oxo-hexyl] dihydrogen phosphate
  • [(2r,3s,4s)-2,3,4,6-tetrahydroxy-5-oxohexyl] dihydrogen phosphate
InChIKey GSXOAOHZAIYLCY-PBXRRBTRSA-N
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