Synonyms
J-650232; AJ-80871; MFCD00068657; CHEBI:61028; LS-187777; CS-0046228; 2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid; ZINC22059268; BCP13075; 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid Europium;
IUPAC Name
2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;
Molecular Weight
404.42g/mol
Molecular Formula
C16H28N4O8;
Canonical SMILES
C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O;
InChI
InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);
InChI Key
WDLRUFUQRNWCPK-UHFFFAOYSA-N;
Complexity
447
Covalently-Bonded Unit Count
1
EC Number
611-959-5
Exact Mass
404.191g/mol
H-Bond Acceptor
12
H-Bond Donor
4
Heavy Atom Count
28
Monoisotopic Mass
404.191g/mol
NSC Number
681107
Rotatable Bond Count
8
Topological Polar Surface Area
162A^2
UNII
1HTE449DGZ
