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Details

Stereochemistry ACHIRAL
Molecular Formula C9H18N3O15P5.3Na.7H
Molecular Weight 639.144
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRISODIUM DIETHYLENETRIAMINEPENTAMETHYLENEPHOSPHONATE

SMILES

[H+].[H+].[H+].[H+].[H+].[H+].[H+].[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=IVEDPCIVDVDGIQ-UHFFFAOYSA-K
InChI=1S/C9H28N3O15P5.3Na/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;3*+1/p-3

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 08:37:32 GMT 2023
Edited
by admin
on Sat Dec 16 08:37:32 GMT 2023
Record UNII
OP813V0J36
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRISODIUM DIETHYLENETRIAMINEPENTAMETHYLENEPHOSPHONATE
Common Name English
TRISODIUM HYDROGEN (10,10-DIHYDROXY-2,8-BIS((HYDROXYPHOSPHINATO)METHYL)-10-OXIDO-5-(PHOSPHONOMETHYL)-2,5,8-TRIAZA-10.LAMBDA.5-PHOSPHADEC-1-YL)PHOSPHONATE
Systematic Name English
DIETHYLENE TRIAMINE PENTA(METHYLENE PHOSPHONIC ACID), TRISODIUM SALT
Common Name English
TRISODIUM (2-(2-(BIS((HYDROXY(OXIDO)PHOSPHORYL)METHYL)AMINO)ETHYL-(PHOSPHONOMETHYL)AMINO)ETHYL-(PHOSPHONOMETHYL)AMINO)METHYL-HYDROXYPHOSPHINATE
Systematic Name English
PHOSPHONIC ACID, P,P',P'',P'''-(((PHOSPHONOMETHYL)IMINO)BIS(2,1-ETHANEDIYLNITRILOBIS(METHYLENE)))TETRAKIS-, SODIUM SALT (1:3)
Systematic Name English
TRISODIUM HYDROGEN (10,10-DIHYDROXY-2,8-BIS((HYDROXYPHOSPHINATO)METHYL)-10-OXIDO-5-(PHOSPHONOMETHYL)-2,5,8-TRIAZA-10-PHOSPHADEC-1-YL)PHOSPHONATE
Systematic Name English
PHOSPHONIC ACID, (((PHOSPHONOMETHYL)IMINO)BIS(2,1-ETHANEDIYLNITRILOBIS(METHYLENE)))TETRAKIS-, TRISODIUM SALT
Common Name English
DIETHYLENETRIAMINE PENTAMETHYLENE PHOSPHONIC ACID, TRISODIUM SALT
Common Name English
PHOSPHONIC ACID, (1,2-ETHANEDIYLNITRILOBIS(METHYLENE))PENTAKIS-, SODIUM SALT (1:3)
Systematic Name English
Code System Code Type Description
CAS
95015-06-8
Created by admin on Sat Dec 16 08:37:33 GMT 2023 , Edited by admin on Sat Dec 16 08:37:33 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-751-4
Created by admin on Sat Dec 16 08:37:33 GMT 2023 , Edited by admin on Sat Dec 16 08:37:33 GMT 2023
PRIMARY
PUBCHEM
22833462
Created by admin on Sat Dec 16 08:37:33 GMT 2023 , Edited by admin on Sat Dec 16 08:37:33 GMT 2023
PRIMARY
FDA UNII
OP813V0J36
Created by admin on Sat Dec 16 08:37:33 GMT 2023 , Edited by admin on Sat Dec 16 08:37:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID0029842
Created by admin on Sat Dec 16 08:37:33 GMT 2023 , Edited by admin on Sat Dec 16 08:37:33 GMT 2023
PRIMARY
CAS
22042-96-2
Created by admin on Sat Dec 16 08:37:33 GMT 2023 , Edited by admin on Sat Dec 16 08:37:33 GMT 2023
NON-SPECIFIC STOICHIOMETRY
Related Record Type Details
PARENT -> SALT/SOLVATE