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

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Formula C6H15O15P3
IUPAC Name [(1s,2s,3r,4s,5r,6s)-2,3,5-trihydroxy-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
Molecular Mass 420.096 g·mol−1
Heat of Formation -3751.1 ± 16.7 kJ·mol−1
Dipole Moment 8.26 ± 1.08 D
Volume 380.6 Å 3
Surface Area 303.6 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s,2r,3s,4r,5s,6s)-2,4,5-trihydroxy-3,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
  • [(1s,2r,3s,4r,5s,6s)-2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl] dihydrogen phosphate
  • d-myo-inositol, 1,4,6-tri(dihydrogen phosphate)
  • inositol 1,4,6-trisphosphate
  • ins(1,4,6)p(3)
  • l-chr ins(1,4,6)p3
CAS Number(s)
  • 114418-85-8
InChIKey MMWCIQZXVOZEGG-GSRZWBRNSA-N
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