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

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Formula C6H15O14P3
IUPAC Name [(1r,2s,3r,4r,5s)-2,5-dihydroxy-3,4-diphosphonooxy-cyclohexyl] dihydrogen phosphate
Molecular Mass 404.096 g·mol−1
Heat of Formation -3572.8 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 359.9 Å 3
Surface Area 294.58 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 6-deoxy-d-myoinositol 1,4,5-triphosphate
  • 6-deoxy-ins(1,4,5)p3
  • 6-deoxyinositol 1,4,5-triphosphate
  • [(1r,2s,3r,5s,6r)-2,5-dihydroxy-3,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
  • [(1r,2s,3r,5s,6r)-2,5-dihydroxy-3,6-diphosphonooxycyclohexyl] dihydrogen phosphate
  • d-6-deoxy-myo-inositol 1,4,5-triphosphate
  • dl-myo-inositol, 2-deoxy-, 1,4,5-tris(dihydrogen phosphate)
CAS Number(s)
  • 124501-87-7
InChIKey GHYKQXTYUPPQMF-DSOBHZJASA-N
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