(1S,2R,3R,4S,5R,6S)-5,6-Dihydroxy-1,2,3,4-Cyclohexanetetrayl Tetrakis[Dihydrogen (Phosphate)]

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Properties Simple | Detailed

Formula C6H16O18P4
IUPAC Name [(1s,2s,3r,4s,5r,6r)-2,3-dihydroxy-4,5,6-triphosphonooxy-cyclohexyl] dihydrogen phosphate
Molecular Mass 500.075 g·mol−1
Heat of Formation -4503.5 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 449.08 Å 3
Surface Area 356.51 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 1d-myo-inositol 3,4,5,6-tetrakisphosphate
  • 1l-myo-inositol 1,4,5,6-tetrakis(dihydrogen phosphate)
  • [(1r,2s,3s,4r,5s,6r)-3,4-dihydroxy-2,5,6-triphosphonooxy-cyclohexyl] dihydrogen phosphate
  • [(1r,2s,3s,4r,5s,6r)-3,4-dihydroxy-2,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
  • d-myo-inositol 3,4,5,6-tetrakisphosphate
  • d-myo-inositol, 3,4,5,6-tetrakis(dihydrogen phosphate)
  • inositol 3,4,5,6-tetrakisphosphate
  • inositol-1,4,5,6-tetrakisphosphate
  • inositol-1,4,5,6-tetraphosphate
  • inositol-3,4,5,6-tetrakisphosphate
  • inositol-3,4,5,6-tetraphosphate
  • ins-1,4,5,6-p4
  • ins-3,4,5,6-p4
  • myo-inositol, 1,4,5,6-tetrakis(dihydrogen phosphate)
  • myo-inositol-1,4,5,6-tetrakisphosphate
  • myo-inositol-3,4,5,6-tetrakisphosphate
CAS Number(s)
  • 112791-61-4
InChIKey MRVYFOANPDTYBY-UZAAGFTCSA-N
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