1,4,7,10-tetraazacyclododecane- 1,4,7,10-tetraacetic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 147
Total Number of Articles : 253
PubChem 121841
Molecular Formula

C16H28N4O8

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)

synonyms
  • DOTA
  • Tetraxetan
  • 60239-18-1
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Properties
Property Value
MW 404.42 g/mol
HBD 4
HBA 12
Rotatable Bond Count 8
Exact Mass 404.19071386 g/mol
Monoisotopic Mass 404.19071386 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 447
xlogp -10.6
Topological Polar Surface Area 162