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

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Properties Simple | Detailed

Formula C6H14FO14P3
IUPAC Name [(1s,2r,3s,4s,5s,6r)-2-fluoro-3,5-dihydroxy-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
Molecular Mass 422.087 g·mol−1
Heat of Formation -3749.1 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 378.67 Å 3
Surface Area 306.15 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 3-deoxy-3-fluoro-d-myo-inositol 1,4,5-trisphosphate
  • 3-deoxy-3-fluoro-ins(1,4,5)p3
  • 3-deoxy-3-fluoroinositol 1,4,5-trisphosphate
  • 3-f-insp3
  • [(1r,2s,3s,4s,5r,6s)-5-fluoro-2,4-dihydroxy-3,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
  • [(1r,2s,3s,4s,5r,6s)-5-fluoro-2,4-dihydroxy-3,6-diphosphonooxycyclohexyl] dihydrogen phosphate
  • d-myo-inositol, 3-deoxy-3-fluoro-1,4,5-tris(dihydrogen phosphate)
  • ins(1,4,5)p(3)f
CAS Number(s)
  • 144371-38-0
InChIKey GCYJOKLPSZNRDA-UOTPTPDRSA-N
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