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

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Formula C6H14O12P2
IUPAC Name [(1s,2r,3s,4s,5s,6s)-2,3,4,5-tetrahydroxy-6-phosphonooxy-cyclohexyl] dihydrogen phosphate
Molecular Mass 340.116 g·mol−1
Heat of Formation -2870.4 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 324.98 Å 3
Surface Area 270.58 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 1d-myo-inositol 3,4-bisphosphate
  • 1l-myo-inositol 1,6-bis(dihydrogen phosphate)
  • [(1s,2r,3s,4s,5s,6s)-2,3,4,5-tetrahydroxy-6-phosphonooxy-cyclohexyl] dihydrogen phosphate
  • [(1s,2r,3s,4s,5s,6s)-2,3,4,5-tetrahydroxy-6-phosphonooxycyclohexyl] dihydrogen phosphate
  • d-myo-inositol 3,4-bisphosphate
  • inositol 3,4-bisphosphate
InChIKey MCKAJXMRULSUKI-CNWJWELYSA-N
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