Sodium phytate

CAS Registry Number®

14306-25-3
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CAS Name

Sodium phytate

Molecular Formula

C6H18O24P6.xNa

Cite this Page

Sodium phytate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=14306-25-3 (retrieved 2021-10-25) (CAS RN: 14306-25-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C6H18O24P6.Na/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);/t1-,2-,3-,4+,5-,6-;

InChIKey

InChIKey=PZCMBBUEUBFPHB-ZLVNENNRNA-N

SMILES

O(P(=O)(O)O)[C@H]1[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O.[Na]

Canonical SMILES

[Na].O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O

Other Names for this Substance

  • myo-Inositol, 1,2,3,4,5,6-hexakis(dihydrogen phosphate), sodium salt (1:?)
  • Inositol, hexakis(dihydrogen phosphate) sodium salt, myo-
  • myo-Inositol, hexakis(dihydrogen phosphate), sodium salt
  • Sodium phytate
  • Sodium inositol hexaphosphate

Deleted or Replaced CAS Registry Numbers

1340-16-5, 16983-18-9