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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 C9H23N3O15P5
Molecular Weight 568.1588
Charge -5
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
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 20:16:21 GMT 2023
Edited
by admin
on Fri Dec 15 20:16:21 GMT 2023
Record UNII
96V6W55893
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTASODIUM DIETHYLENETRIAMINEPENTAMETHYLENEPHOSPHONATE
Common Name English
DQ-2066
Code 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 Fri Dec 15 20:16:21 GMT 2023 , Edited by admin on Fri Dec 15 20:16:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID5029768
Created by admin on Fri Dec 15 20:16:21 GMT 2023 , Edited by admin on Fri Dec 15 20:16:21 GMT 2023
PRIMARY
CAS
22042-96-2
Created by admin on Fri Dec 15 20:16:21 GMT 2023 , Edited by admin on Fri Dec 15 20:16:21 GMT 2023
NON-SPECIFIC STOICHIOMETRY
ECHA (EC/EINECS)
263-212-4
Created by admin on Fri Dec 15 20:16:21 GMT 2023 , Edited by admin on Fri Dec 15 20:16:21 GMT 2023
PRIMARY
FDA UNII
96V6W55893
Created by admin on Fri Dec 15 20:16:21 GMT 2023 , Edited by admin on Fri Dec 15 20:16:21 GMT 2023
PRIMARY
CAS
61792-09-4
Created by admin on Fri Dec 15 20:16:21 GMT 2023 , Edited by admin on Fri Dec 15 20:16:21 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE