Synonyms
ST50308032; MFCD00003845; ctda monohydrate; 2,2'',2'''',2''''''-(trans-Cyclohexane-1,2-diylbis(azanetriyl))tetraacetic acid hydrate; (1,2-Cyclohexylenedinitrilo)tetraacetic acid monohydrate; I14-18001; AK-56958; KS-00000ANY; 13291-61-7 (.xH₂O); FT-0689447;
IUPAC Name
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate;
Molecular Weight
364.351g/mol
Molecular Formula
C14H24N2O9;
Canonical SMILES
C1CCC(C(C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O;
InChI
InChI=1S/C14H22N2O8.H₂O/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1H2/t9-,10-;/m1./s1;
InChI Key
VASZYFIKPKYGNC-DHTOPLTISA-N;
Storage
Store below +30°C.
Complexity
419
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
2
Exact Mass
364.148g/mol
H-Bond Acceptor
11
H-Bond Donor
5
Heavy Atom Count
25
Monoisotopic Mass
364.148g/mol
Rotatable Bond Count
10
Topological Polar Surface Area
157A^2
