{[2-({2-[Bis(Carboxymethyl)Amino]-5-Fluoro-4-Methylphenoxy}Methyl)-8-Quinolinyl](Carboxymethyl)Amino}Acetic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C25H24FN3O9
IUPAC Name 2-[[2-[[2-[bis(carboxymethyl)amino]-5-fluoro-4-methyl-phenoxy]methyl]-8-quinolyl]-(carboxymethyl)amino]acetic acid
Molecular Mass 529.471 g·mol−1
Heat of Formation -1554.4 ± 16.7 kJ·mol−1
Dipole Moment 1.30 ± 1.08 D
Volume 575.54 Å 3
Surface Area 430.78 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-amino-4-methyl-5-fluorophenoxy)methyl-8-aminoquinoline-n,n,n',n'-tetraacetic acid
  • 2-[[2-[[2-(bis(carboxymethyl)amino)-5-fluoro-4-methyl-phenoxy]methyl]-8-quinolyl]-(carboxymethyl)amino]acetic acid
  • 2-[[2-[[2-(bis(carboxymethyl)amino)-5-fluoro-4-methyl-phenoxy]methyl]quinolin-8-yl]-(carboxymethyl)amino]ethanoic acid
  • 2-[[2-[[2-(bis(carboxymethyl)amino)-5-fluoro-4-methylphenoxy]methyl]-8-quinolyl]-(carboxymethyl)amino]acetic acid
  • 2-[[2-[[2-(bis(carboxymethyl)amino)-5-fluoro-4-methylphenoxy]methyl]quinolin-8-yl]-(carboxymethyl)amino]acetic acid
  • glycine, n-(2-((2-(bis(carboxymethyl)amino)-5-fluoro-4-methylphenoxy)methyl)-8-quinolinyl)-n-(carboxymethyl)-
  • quin-mf
  • quinmf
CAS Number(s)
  • 109024-53-5
InChIKey YOXJXZQOMVTVFS-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F