2-{6-[Bis(Carboxymethyl)Amino]-5-(Carboxymethoxy)-1-Benzofuran-2-Yl}-1,3-Oxazole-5-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H14N2O11
IUPAC Name 2-[6-(bis(carboxymethyl)amino)-5-(carboxymethyloxy)-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acid
Molecular Mass 434.311 g·mol−1
Heat of Formation -1502.8 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 453.18 Å 3
Surface Area 396.85 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-(5-carboxy)oxazole)-5-hydroxy-6-aminobenzofuran-n,n,o-triacetic acid
  • 2-[6-(bis(carboxymethyl)amino)-5-(carboxymethyloxy)-2-benzofuranyl]-5-oxazolecarboxylic acid
  • 2-[6-(bis(carboxymethyl)amino)-5-(carboxymethyloxy)benzofuran-2-yl]oxazole-5-carboxylic acid
  • 5-oxazolecarboxylic acid, 2-(6-(bis(carboxymethyl)amino)-5-(carboxymethoxy)-2-benzofuranyl)-
  • furaptra
  • mag-fura-2
CAS Number(s)
  • 120551-15-7
InChIKey PDURUKZNVHEHGO-UHFFFAOYSA-N
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