sodium phytate Report issue

Small molecule Experimental
AACT ChEMBL Drug Central MeSH PubChem

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Chemistry

Mol. Mass

660.0353

ALogP

-3.13

Rule of 5

No

Rule of 3

No
Details
  • SMILES: OP(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
  • InChIKey: IMQLKJBTEOYOSI-GPIVLXJGSA-N
    1S/C6H18O24P6/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-
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1233511   ChEMBL
phytic acid

7IGF0S7R8I   NCATS
fytic acid *

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