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

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Formula C6H16NO14P3
IUPAC Name [(1r,2r,3r,4r,5s,6r)-2-amino-3,5-dihydroxy-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
Molecular Mass 419.111 g·mol−1
Heat of Formation -3525.1 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 386.11 Å 3
Surface Area 308.2 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-3-deoxy-ins(1,4,5)p3
  • 3-amino-3-deoxy-myo-inositol 1,4,5-trisphosphate
  • [(1r,2r,3r,4r,5s,6r)-2-amino-3,5-dihydroxy-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
  • [(1r,2r,3r,4r,5s,6r)-2-amino-3,5-dihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
  • d-myo-inositol, 3-amino-3-deoxy-, 1,4,5-tris(dihydrogen phosphate)
CAS Number(s)
  • 153212-81-8
InChIKey RHUZQIJSAKZPDO-UOTPTPDRSA-N
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