(1R,2S,3S,4R,5R,6S)-3,4,5,6-Tetrahydroxy-1,2-Cyclohexanediyl Bis[Dihydrogen (Phosphate)]

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Formula C6H14O12P2
IUPAC Name [(1r,2s,3r,4r,5s,6s)-2,3,4,5-tetrahydroxy-6-phosphonooxy-cyclohexyl] dihydrogen phosphate
Molecular Mass 340.116 g·mol−1
Heat of Formation -2895.2 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 315.08 Å 3
Surface Area 263.79 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2s,3r,4r,5s,6s)-2,3,4,5-tetrahydroxy-6-phosphonooxy-cyclohexyl] dihydrogen phosphate
  • [(1r,2s,3r,4r,5s,6s)-2,3,4,5-tetrahydroxy-6-phosphonooxycyclohexyl] dihydrogen phosphate
  • d-myo-inositol, 1,2-bis(dihydrogen phosphate)
  • inositol 1,2-bisphosphate
  • inositol 3,4-diphosphate
  • myo-inositol 1,2-bisphosphate
CAS Number(s)
  • 23410-61-9
InChIKey MCKAJXMRULSUKI-JIGFOQOZSA-N
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