(1S,2S,3S,4S,5R,6R)-3,5,6-Trihydroxy-1,2,4-Cyclohexanetriyl Tris[Dihydrogen (Phosphate)]

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Formula C6H15O15P3
IUPAC Name [(1s,2r,3r,4s,5s,6s)-2,3,5-trihydroxy-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
Molecular Mass 420.096 g·mol−1
Heat of Formation -3725.0 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 386.78 Å 3
Surface Area 309.65 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3s,4s)-1,3,4-triphospho-myo-inositol
  • 1d-myo-inositol 1,3,4-tris(dihydrogen phosphate)
  • 1d-myo-inositol 1,3,4-trisphosphate
  • [(1s,2s,3s,4r,5r,6s)-2,4,5-trihydroxy-3,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
  • [(1s,2s,3s,4r,5r,6s)-2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl] dihydrogen phosphate
  • d-myo-inositol 1,3,4-trisphosphate
  • i3s
InChIKey MMWCIQZXVOZEGG-MLQGYMEPSA-N
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