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Details

Stereochemistry ACHIRAL
Molecular Formula C9H23N3O15P5.5Na
Molecular Weight 683.1077
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTASODIUM DIETHYLENETRIAMINEPENTAMETHYLENEPHOSPHONATE

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].OP([O-])(=O)CN(CCN(CP(O)([O-])=O)CP(O)([O-])=O)CCN(CP(O)([O-])=O)CP(O)([O-])=O

InChI

InChIKey=QRIAWZKHYOWOAR-UHFFFAOYSA-I
InChI=1S/C9H28N3O15P5.5Na/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27;;;;;/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27);;;;;/q;5*+1/p-5

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H23N3O15P5
Molecular Weight 568.1588
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 20:06:00 GMT 2025
Edited
by admin
on Mon Mar 31 20:06:00 GMT 2025
Record UNII
96V6W55893
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DQ-2066
Preferred Name English
PENTASODIUM DIETHYLENETRIAMINEPENTAMETHYLENEPHOSPHONATE
Common Name English
DIETHYLENETRIAMINEPENTA(METHYLENEPHOSPHONIC ACID), PENTASODIUM SALT
Systematic Name English
DIETHYLENETRIAMINE PENTAMETHYLENE PHOSPHONIC ACID, PENTASODIUM SALT
Common Name English
PENTASODIUM DIETHYLENETRIAMINEPENTA(METHYLENEPHOSPHONATE)
Systematic Name English
PHOSPHONIC ACID, P,P',P'',P'''-(((PHOSPHONOMETHYL)IMINO)BIS(2,1-ETHANEDIYLNITRILOBIS(METHYLENE)))TETRAKIS-, SODIUM SALT (1:5)
Common Name English
PHOSPHONIC ACID, (((PHOSPHONOMETHYL)IMINO)BIS(2,1-ETHANEDIYLNITRILOBIS(METHYLENE)))TETRAKIS-, PENTASODIUM SALT
Systematic Name English
Code System Code Type Description
PUBCHEM
15820844
Created by admin on Mon Mar 31 20:06:00 GMT 2025 , Edited by admin on Mon Mar 31 20:06:00 GMT 2025
PRIMARY
EPA CompTox
DTXSID5029768
Created by admin on Mon Mar 31 20:06:00 GMT 2025 , Edited by admin on Mon Mar 31 20:06:00 GMT 2025
PRIMARY
CAS
22042-96-2
Created by admin on Mon Mar 31 20:06:00 GMT 2025 , Edited by admin on Mon Mar 31 20:06:00 GMT 2025
NON-SPECIFIC STOICHIOMETRY
ECHA (EC/EINECS)
263-212-4
Created by admin on Mon Mar 31 20:06:00 GMT 2025 , Edited by admin on Mon Mar 31 20:06:00 GMT 2025
PRIMARY
FDA UNII
96V6W55893
Created by admin on Mon Mar 31 20:06:00 GMT 2025 , Edited by admin on Mon Mar 31 20:06:00 GMT 2025
PRIMARY
CAS
61792-09-4
Created by admin on Mon Mar 31 20:06:00 GMT 2025 , Edited by admin on Mon Mar 31 20:06:00 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE