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

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Properties Simple | Detailed

Formula C6H16O12P2
IUPAC Name [(2r,3r,4s,5s)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl] dihydrogen phosphate
Molecular Mass 342.132 g·mol−1
Heat of Formation -2886.5 ± 16.7 kJ·mol−1
Dipole Moment 0.01 ± 1.08 D
Volume 335.67 Å 3
Surface Area 313.76 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry Ci
Synonyms
  • [(2r,3r,4s,5s)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl] dihydrogen phosphate
  • [(2r,3r,4s,5s)-2,3,4,5-tetrahydroxy-6-phosphonooxyhexyl] dihydrogen phosphate
  • f2p
InChIKey WOYYTQHMNDWRCW-FBXFSONDSA-N
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Elements P C O H