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Details

Stereochemistry ACHIRAL
Molecular Formula C9H18N3O15P5.6Na.4H
Molecular Weight 705.0895
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXASODIUM DIETHYLENETRIAMINEPENTAMETHYLENEPHOSPHONATE

SMILES

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

InChI

InChIKey=RGIYWVNNHVURLO-UHFFFAOYSA-H
InChI=1S/C9H28N3O15P5.6Na/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;6*+1/p-6

HIDE SMILES / InChI

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

Molecular Formula C9H18N3O15P5
Molecular Weight 563.1191
Charge -10
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H
Molecular Weight 1.0079
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 Sat Dec 16 08:14:52 GMT 2023
Edited
by admin
on Sat Dec 16 08:14:52 GMT 2023
Record UNII
U5G2UPY323
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXASODIUM DIETHYLENETRIAMINEPENTAMETHYLENEPHOSPHONATE
Common Name English
PHOSPHONIC ACID, (((PHOSPHONOMETHYL)IMINO)BIS(2,1-ETHANEDIYLNITRILOBIS(METHYLENE)))TETRAKIS-, HEXASODIUM SALT
Common Name English
Code System Code Type Description
FDA UNII
U5G2UPY323
Created by admin on Sat Dec 16 08:14:52 GMT 2023 , Edited by admin on Sat Dec 16 08:14:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
299-045-9
Created by admin on Sat Dec 16 08:14:52 GMT 2023 , Edited by admin on Sat Dec 16 08:14:52 GMT 2023
PRIMARY
PUBCHEM
22833457
Created by admin on Sat Dec 16 08:14:52 GMT 2023 , Edited by admin on Sat Dec 16 08:14:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID1029831
Created by admin on Sat Dec 16 08:14:52 GMT 2023 , Edited by admin on Sat Dec 16 08:14:52 GMT 2023
PRIMARY
CAS
93841-74-8
Created by admin on Sat Dec 16 08:14:52 GMT 2023 , Edited by admin on Sat Dec 16 08:14:52 GMT 2023
PRIMARY
CAS
22042-96-2
Created by admin on Sat Dec 16 08:14:52 GMT 2023 , Edited by admin on Sat Dec 16 08:14:52 GMT 2023
NON-SPECIFIC STOICHIOMETRY
Related Record Type Details
PARENT -> SALT/SOLVATE