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Substance Name: Phytin
RN: 76466-13-2
UNII: N1DEP08LNK
InChIKey: HYZKUQIQEQQXOQ-BQYPOXACSA-B

Molecular Formula

  • C6-H6-O24-P6.5Ca.Mg

Molecular Weight

  • 872.6284
 
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Names and Synonyms

Name of Substance

  • Phytin

Synonyms

  • Calcium magnesium fytate
  • Calcium magnesium fytate [MART.]
  • Calcium-magnesium phytate
  • EINECS 222-798-1
  • Fytate calcium magnesium
  • Fytate calcium magnesium [WHO-DD]
  • Inositol hexaphosphoric acid, calcium-magnesium salt
  • Magnesium pentacalcium phytate
  • Myo-inositol, hexakis(dihydrogen phosphate), calcium magnesium salt
  • Myo-inositol, hexakis(dihydrogen phosphate), calcium magnesium salt (1:5:1)
  • Phytic acid calcium magnesium salt
  • Phytic acid calcium magnesium salt [MI]
  • Phytin
  • Phytin [INCI]
  • Phytin [VANDF]
  • UNII-N1DEP08LNK

Registry Numbers

CAS Registry Number

  • 76466-13-2

FDA UNII

  • N1DEP08LNK

System Generated Number

  • 0076466132

Structure Descriptors

InChI

1S/C6H18O24P6.5Ca.Mg/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;6*+2/p-12/t1-,2-,3-,4+,5-,6-;;;;;;

InChIKey

HYZKUQIQEQQXOQ-BQYPOXACSA-B

Smiles

[C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-].[Mg+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]