Cas no 28841-62-5 (D-myo-Inositol,1,2,6-tris(dihydrogen phosphate))

D-myo-Inositol,1,2,6-tris(dihydrogen phosphate) structure
28841-62-5 structure
Product Name:D-myo-Inositol,1,2,6-tris(dihydrogen phosphate)
CAS No:28841-62-5
MF:C6H15O15P3
MW:420.095586061478
CID:268210
PubChem ID:65762
Update Time:2025-04-19

D-myo-Inositol,1,2,6-tris(dihydrogen phosphate) Chemical and Physical Properties

Names and Identifiers

    • D-myo-Inositol,1,2,6-tris(dihydrogen phosphate)
    • [(1R,2S,4R,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
    • INOSITOL TRISPHOSPHATE (INS(1,2,6)P3
    • (1R,3R,4R,6S)-4,5,6-trihydroxycyclohexane-1,2,3-triyl tris[dihydrogen (phosphate)]
    • Atrinositol [INN]
    • Inositol 1,2,6-triphosphate
    • UNII-VYF3049W3N
    • CHEMBL2106016
    • D-myo-Inositol-1,2,6-triphosphate
    • GKDKOMAJZATYAY-UOTPTPDRSA-N
    • SCHEMBL636077
    • D-myo-inositol-1.2.6-triphosphate
    • 28841-62-5
    • PP 56
    • Q27292095
    • .alpha.-trinositol
    • D-myo-Inositol 1,2,6-tris(dihydrogen phosphate)
    • Atrinositol
    • GKDKOMAJZATYAY-GCVPSNMTSA-N
    • D-myo-Inositol-1,2,6-tris(hydrogen phosphate)
    • DTXSID701317926
    • PP-56
    • NS00121633
    • PP56
    • (1R,2S,3R,4R,5S,6S)-4,5,6-trihydroxycyclohexane-1,2,3-triyl tris(dihydrogen phosphate)
    • VYF3049W3N
    • -Trinositol
    • [(2R,3S,5R,6R)-3,4,5-Trihydroxy-2,6-diphosphonooxycyclohexyl]dihydrogenphosphate
    • AKOS040750626
    • [(1R,2R,4S,5R)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen phosphate
    • Inchi： 1S/C6H15O15P3/c7-1-2(8)4(19-22(10,11)12)6(21-24(16,17)18)5(3(1)9)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1?,2-,3+,4-,5-,6?/m1/s1
    • InChI Key： GKDKOMAJZATYAY-GCVPSNMTSA-N
    • SMILES： P(=O)(O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)O)O)O)OP(=O)(O)O

Computed Properties

  • Exact Mass: 419.962
  • Monoisotopic Mass: 419.962
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 6
  • Complexity: 536
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 261A^2
  • XLogP3: -7

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 2.3±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 839.2±75.0 °C at 760 mmHg
  • Flash Point: 461.3±37.1 °C
  • Refractive Index: 1.635
  • PSA: 290.40000
  • LogP: -3.48360
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

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