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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H18N2O8
Molecular Weight 306.2692
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2-Propylenediaminetetraacetic acid, (S)-

SMILES

C[C@@H](CN(CC(O)=O)CC(O)=O)N(CC(O)=O)CC(O)=O

InChI

InChIKey=XNCSCQSQSGDGES-ZETCQYMHSA-N
InChI=1S/C11H18N2O8/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21)/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H18N2O8
Molecular Weight 306.2692
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:25:01 GMT 2025
Edited
by admin
on Wed Apr 02 20:25:01 GMT 2025
Record UNII
R8UHX59BA6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-Propylenediaminetetraacetic acid, (S)-
Common Name English
(+)-1,2-Diaminopropanetetraacetic acid
Preferred Name English
1,2-Diaminopropanetetraacetic acid, (+)-
Common Name English
N,N?-[(1S)-1-Methyl-1,2-ethanediyl]bis[N-(carboxymethyl)glycine]
Systematic Name English
1,2-PDTA, (S)-
Common Name English
1,2-Diaminopropane-N,N,N',N'-tetraacetic acid, (S)-(+)-
Systematic Name English
(S)-(+)-1,2-Diaminopropane-N,N,N',N'-tetraacetic acid
Systematic Name English
(S)-1,2-PDTA
Common Name English
Glycine, N,N?-[(1S)-1-methyl-1,2-ethanediyl]bis[N-(carboxymethyl)-
Systematic Name English
Code System Code Type Description
CAS
15250-41-6
Created by admin on Wed Apr 02 20:25:01 GMT 2025 , Edited by admin on Wed Apr 02 20:25:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID60934519
Created by admin on Wed Apr 02 20:25:01 GMT 2025 , Edited by admin on Wed Apr 02 20:25:01 GMT 2025
PRIMARY
FDA UNII
R8UHX59BA6
Created by admin on Wed Apr 02 20:25:01 GMT 2025 , Edited by admin on Wed Apr 02 20:25:01 GMT 2025
PRIMARY
PUBCHEM
6997212
Created by admin on Wed Apr 02 20:25:01 GMT 2025 , Edited by admin on Wed Apr 02 20:25:01 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
ENANTIOMER -> ENANTIOMER