Cas no 129832-03-7 (phytic acid dipotassium)

phytic acid dipotassium structure
phytic acid dipotassium structure
Product Name:phytic acid dipotassium
CAS No:129832-03-7
MF:C6H16K2O24P6
MW:736.216011047363
MDL:MFCD00133773
CID:91661
PubChem ID:22838972
Update Time:2024-11-02

phytic acid dipotassium Chemical and Physical Properties

Names and Identifiers

    • phytic acid dipotassium
    • Potassium phytate
    • INOSITOL HEXAPHOSPHORIC ACID DIPOTASSIUM SALT
    • PHYTIC ACID DIPOTASSIUM SALT
    • Potassium (1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl phosphate
    • Dipotassium phytate
    • cyclohexyl phosphate
    • Potassium (1R,2S,3R,4R,5S,6S)
    • -2,3,4,5,6-pentakis(phosphonooxy)
    • MYO-INOSITOL HEXAKIS[DIHYDROGEN PHOSPHATE] DIPOTASSIUM SALT
    • Phytic acid dipotassium salt,myo-Inositol hexakis(dihydrogen phosphate), Inositol hexakisphosphate, Inositol hexaphosphoric acid, InsP6
    • Phytic acid potassium
    • 129832-03-7
    • PD054428
    • AKOS016010223
    • dipotassium;[(2R,3S,5R,6R)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphate
    • DTXSID801036038
    • MFCD00133773
    • J-521537
    • DIPOTASSIUM (1S,2R,3R,4R,5S,6R)-2,3,4,5,6-PENTAKIS(PHOSPHONOOXY)CYCLOHEXYL PHOSPHATE
    • H11344
    • AKOS032950052
    • dipotassium;[(2R,3R,5S,6R)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphate
    • Phytic acid (potassium)
    • SCHEMBL1658128
    • MDL: MFCD00133773
    • Inchi: 1S/C6H18O24P6.2K/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;/q;2*+1/p-2/t1-,2-,3?,4?,5-,6+;;/m0../s1
    • InChI Key: LFTTXUFEVNNTHA-OKBOCSEJSA-L
    • SMILES: [K+].[K+].P(=O)(O)(O)OC1[C@@H]([C@@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)([O-])[O-])OP(=O)(O)O)OP(=O)(O)O

Computed Properties

  • Exact Mass: 735.77300
  • Monoisotopic Mass: 735.7731363g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 24
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 12
  • Complexity: 976
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 406?2

Experimental Properties

  • Color/Form: No data available
  • Melting Point: No data available
  • Boiling Point: No data available
  • Flash Point: No data available
  • PSA: 465.08000
  • LogP: -2.25620
  • Vapor Pressure: No data available

phytic acid dipotassium Security Information

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