Cas no 88269-39-0 (myo-Inositol,1,4,5-tris(dihydrogen phosphate))

myo-Inositol,1,4,5-tris(dihydrogen phosphate) structure
88269-39-0 structure
Product Name:myo-Inositol,1,4,5-tris(dihydrogen phosphate)
CAS No:88269-39-0
MF:C6H15O15P3
MW:420.095586061478
CID:721799
PubChem ID:55310
Update Time:2025-04-19

myo-Inositol,1,4,5-tris(dihydrogen phosphate) Chemical and Physical Properties

Names and Identifiers

    • myo-Inositol,1,4,5-tris(dihydrogen phosphate)
    • (2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexoxy)phosphonic acid
    • MU34XVK5NR
    • AKOS040755027
    • myo-Inositol, 1,4,5-tris(dihydrogen phosphate)
    • CHEBI:191121
    • 2068-89-5
    • DL-myo-Inositol 1,4,5-triphosphate
    • L-myo-Inositol-1,4,5-triphosphate (sodium salt)
    • 27121-73-9
    • UNII-MU34XVK5NR
    • [(1S,2R,3S,4S,5R,6S)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
    • myo-Inositol 1,3,6-triphosphate
    • SCHEMBL381458
    • DTXSID001015822
    • myo-inositol 1,4,5-triphosphate
    • MMWCIQZXVOZEGG-HOZKJCLWSA-N
    • Inositol 1,4,5-triphosphate
    • L-myo-inositol-1,4,5-triphosphate
    • myo-Inositol 1,4,5-trisphosphate
    • PD039182
    • Inositol triphosphate
    • Q138145
    • Inositol 1,3,6-triphosphate
    • 88269-39-0
    • Inchi： 1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m0/s1
    • InChI Key： MMWCIQZXVOZEGG-HOZKJCLWSA-N
    • SMILES： P(=O)(O)(O)O[C@H]1[C@@H]([C@H]([C@H]([C@H]([C@@H]1OP(=O)(O)O)O)O)OP(=O)(O)O)O

Computed Properties

  • Exact Mass: 419.96238076g/mol
  • Monoisotopic Mass: 419.96238076g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 6
  • Complexity: 574
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -7
  • Topological Polar Surface Area: 261?2

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