U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H16O24P6.Mg
Molecular Weight 682.3244
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAGNESIUM PHYTATE

SMILES

[Mg++].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

InChI

InChIKey=IWEDUKDKQUXPLH-ZLVNENNRSA-L
InChI=1S/C6H18O24P6.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;+2/p-2/t1-,2-,3-,4+,5-,6-;

HIDE SMILES / InChI

Molecular Formula C6H16O24P6
Molecular Weight 658.0194
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Mg
Molecular Weight 24.305
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:50:35 GMT 2023
Edited
by admin
on Fri Dec 15 17:50:35 GMT 2023
Record UNII
8HKG5O763Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MAGNESIUM PHYTATE
Common Name English
MYO-INOSITOL, HEXAKIS(DIHYDROGEN PHOSPHATE), MAGNESIUM SALT
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
252-336-4
Created by admin on Fri Dec 15 17:50:36 GMT 2023 , Edited by admin on Fri Dec 15 17:50:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID90956481
Created by admin on Fri Dec 15 17:50:36 GMT 2023 , Edited by admin on Fri Dec 15 17:50:36 GMT 2023
PRIMARY
CAS
35046-95-8
Created by admin on Fri Dec 15 17:50:36 GMT 2023 , Edited by admin on Fri Dec 15 17:50:36 GMT 2023
PRIMARY
FDA UNII
8HKG5O763Y
Created by admin on Fri Dec 15 17:50:36 GMT 2023 , Edited by admin on Fri Dec 15 17:50:36 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE