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Details

Stereochemistry ACHIRAL
Molecular Formula C10H23N2O12P4.5K
Molecular Weight 682.6824
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAPOTASSIUM TRIHYDROGEN (HEXANE-1,6-DIYLBIS(NITRILOBIS(METHYLENE)))TETRAKISPHOSPHONATE

SMILES

[K+].[K+].[K+].[K+].[K+].OP([O-])(=O)CN(CCCCCCN(CP(O)([O-])=O)CP([O-])([O-])=O)CP(O)([O-])=O

InChI

InChIKey=FZWFYUHHGJEQGB-UHFFFAOYSA-I
InChI=1S/C10H28N2O12P4.5K/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;/q;5*+1/p-5

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H23N2O12P4
Molecular Weight 487.1909
Charge -5
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 Mon Mar 31 22:32:04 GMT 2025
Edited
by admin
on Mon Mar 31 22:32:04 GMT 2025
Record UNII
M9AHX58RXK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHOSPHONIC ACID, (1,6-HEXANEDIYLBIS(NITRILOBIS(METHYLENE)))TETRAKIS-, PENTAPOTASSIUM SALT
Preferred Name English
PENTAPOTASSIUM TRIHYDROGEN (HEXANE-1,6-DIYLBIS(NITRILOBIS(METHYLENE)))TETRAKISPHOSPHONATE
Common Name English
Code System Code Type Description
CAS
94023-20-8
Created by admin on Mon Mar 31 22:32:04 GMT 2025 , Edited by admin on Mon Mar 31 22:32:04 GMT 2025
PRIMARY
PUBCHEM
56841306
Created by admin on Mon Mar 31 22:32:04 GMT 2025 , Edited by admin on Mon Mar 31 22:32:04 GMT 2025
PRIMARY
ECHA (EC/EINECS)
301-617-0
Created by admin on Mon Mar 31 22:32:04 GMT 2025 , Edited by admin on Mon Mar 31 22:32:04 GMT 2025
PRIMARY
EPA CompTox
DTXSID40240302
Created by admin on Mon Mar 31 22:32:04 GMT 2025 , Edited by admin on Mon Mar 31 22:32:04 GMT 2025
PRIMARY
FDA UNII
M9AHX58RXK
Created by admin on Mon Mar 31 22:32:04 GMT 2025 , Edited by admin on Mon Mar 31 22:32:04 GMT 2025
PRIMARY