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

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Formula C6H15O15P3
IUPAC Name [(1r,2s,3s,4s,5s,6r)-2,3,5-trihydroxy-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
Molecular Mass 420.096 g·mol−1
Heat of Formation -3691.2 ± 16.7 kJ·mol−1
Dipole Moment 2.64 ± 1.08 D
Volume 389.48 Å 3
Surface Area 319.74 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2s,3s,4s,5s,6r)-2,4,5-trihydroxy-3,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
  • [(1r,2s,3s,4s,5s,6r)-2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl] dihydrogen phosphate
  • d-myo-inositol-2,4,5-triphosphate
  • d-myo-inositol-2,4,5-trisphosphate
  • i2p
  • inositol 2,4,5 trisphosphate
  • inositol 2,4,5-triphosphate
  • inositol 2,4,5-trisphosphate
CAS Number(s)
  • 91840-07-2
InChIKey MMWCIQZXVOZEGG-LKPKBOIGSA-N
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