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Details

Stereochemistry ACHIRAL
Molecular Formula C6H14O24P6.2Zn
Molecular Weight 786.822
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0
Stereo Comments Relative stereochemistry

SHOW SMILES / InChI
Structure of ZINC PHYTATE

SMILES

[Zn++].[Zn++].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=WQPPWPOFWOFIMG-XPJYOAAYSA-J
InChI=1S/C6H18O24P6.2Zn/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*+2/p-4/t1-,2-,3-,4+,5-,6-;;

HIDE SMILES / InChI

Molecular Formula C6H14O24P6
Molecular Weight 656.0035
Charge -4
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Zn
Molecular Weight 65.409
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 Sat Dec 16 11:44:21 GMT 2023
Edited
by admin
on Sat Dec 16 11:44:21 GMT 2023
Record UNII
CQP897CO3I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZINC PHYTATE
Common Name English
MYO-INOSITOL, 1,2,3,4,5,6-HEXAKIS(DIHYDROGEN PHOSPHATE), ZINC SALT (1:2)
Systematic Name English
MYO-INOSITOL, HEXAKIS(DIHYDROGEN PHOSPHATE), ZINC SALT (1:2)
Systematic Name English
PHYTIC ACID ZINC SALT (1:2)
Common Name English
Code System Code Type Description
CAS
68365-98-0
Created by admin on Sat Dec 16 11:44:21 GMT 2023 , Edited by admin on Sat Dec 16 11:44:21 GMT 2023
PRIMARY
FDA UNII
CQP897CO3I
Created by admin on Sat Dec 16 11:44:21 GMT 2023 , Edited by admin on Sat Dec 16 11:44:21 GMT 2023
PRIMARY
CAS
59246-95-6
Created by admin on Sat Dec 16 11:44:21 GMT 2023 , Edited by admin on Sat Dec 16 11:44:21 GMT 2023
NON-SPECIFIC STOICHIOMETRY
Related Record Type Details
PARENT -> SALT/SOLVATE