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

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Formula C6H15O15P3
IUPAC Name [(1r,2s,3r,4r,5s,6r)-2,3,5-trihydroxy-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
Molecular Mass 420.096 g·mol−1
Heat of Formation -3752.6 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 379.81 Å 3
Surface Area 301.68 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,3,4,5,6-cyclohexanehexol, 1,2,4-tris(dihydrogen phosphate)
  • 1d-myo-inositol 1,4,5-tris(dihydrogen phosphate)
  • [(1r,2s,3r,4r,5s,6r)-2,4,5-trihydroxy-3,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
  • [(1r,2s,3r,4r,5s,6r)-2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl] dihydrogen phosphate
  • cmc_10501
  • cmc_11728
  • cmc_11837
  • cmc_12664
  • cmc_12735
  • cmc_6811
  • cmc_7228
  • d-myo-inositol 1,4,5-triphosphate
  • d-myo-inositol-1,4,5-triphosphate
  • i3p
  • inositol 1,4,5 trisphosphate
  • inositol triphosphate (6ci,7ci)
  • inositol trisphosphate
  • ins(1,4,5)p3
  • insp3
  • myo-inositol triphosphate
  • myo-inositol trisphosphate
  • triphosphoinositol
InChIKey MMWCIQZXVOZEGG-XJTPDSDZSA-N
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