1,2-bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 500
Total Number of Articles : 564
PubChem 3034747
Molecular Formula

C25H28N2O12

SMILES

CC(=O)OCOC(=O)CN(CC(=O)O)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C25H28N2O12/c1-17(28)38-16-39-25(35)15-27(14-24(33)34)19-7-3-5-9-21(19)37-11-10-36-20-8-4-2-6-18(20)26(12-22(29)30)13-23(31)32/h2-9H,10-16H2,1H3,(H,29,30)(H,31,32)(H,33,34)

synonyms
  • 139890-68-9
  • 1,2-Bis(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acid acetoxymethyl ester
  • 2-[2-[2-[2-[[2-(acetyloxymethoxy)-2-oxoethyl]-(carboxymethyl)amino]phenoxy]ethoxy]-N-(carboxymethyl)anilino]acetic acid
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Properties
Property Value
MW 548.5 g/mol
HBD 3
HBA 14
Rotatable Bond Count 19
Exact Mass 548.16422433 g/mol
Monoisotopic Mass 548.16422433 g/mol
Heavy Atom Count 39
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 822
xlogp 2.5
Topological Polar Surface Area 189