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

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Properties Simple | Detailed

Formula C6H14O12P2
IUPAC Name [(1r,2s,3s,4r,5s,6r)-2,3,4,5-tetrahydroxy-6-phosphonooxy-cyclohexyl] dihydrogen phosphate
Molecular Mass 340.116 g·mol−1
Heat of Formation -2875.8 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 310.64 Å 3
Surface Area 265.99 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 1d-myo-inositol 4,5-bis(dihydrogen phosphate)
  • 1d-myo-inositol 4,5-bisphosphate
  • [(1r,2s,3s,4r,5s,6r)-2,3,4,5-tetrahydroxy-6-phosphonooxy-cyclohexyl] dihydrogen phosphate
  • [(1r,2s,3s,4r,5s,6r)-2,3,4,5-tetrahydroxy-6-phosphonooxycyclohexyl] dihydrogen phosphate
  • d-myo-inositol 4,5-bisphosphate
  • d-myo-inositol-4,5-bisphosphate
  • inositol 4,5-biphosphate
  • inositol 4,5-bisphosphate
  • inositol-4,5-bisphosphate
  • ins(4,5)p2
  • ip2
  • myo-inositol 4,5-diphosphate
  • myo-inositol, 4,5-bis(dihydrogen phosphate)
CAS Number(s)
  • 93060-87-8
InChIKey MCKAJXMRULSUKI-UZAAGFTCSA-N
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