2,2',2'',2'''-{[(2S)-3-(4-{[(2-Hydroxyethyl)Carbamothioyl]Amino}Phenyl)-1,2-Propanediyl]Dinitrilo}Tetraacetic Acid

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Properties Simple | Detailed

Formula C20H28N4O9S
IUPAC Name 2-[[(2s)-2-[bis(carboxymethyl)amino]-3-[4-(2-hydroxyethylcarbamothioylamino)phenyl]propyl]-(carboxymethyl)amino]acetic acid
Molecular Mass 500.523 g·mol−1
Heat of Formation -1512.4 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 569.86 Å 3
Surface Area 440.45 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(1s)-1-[(bis(carboxymethyl)amino)methyl]-2-[4-(2-hydroxyethylcarbamothioylamino)phenyl]ethyl]-(carboxymethyl)amino]acetic acid
  • 2-[[(1s)-1-[(bis(carboxymethyl)amino)methyl]-2-[4-(2-hydroxyethylthiocarbamoylamino)phenyl]ethyl]-(carboxymethyl)amino]acetic acid
  • 2-[[(1s)-1-[(bis(carboxymethyl)amino)methyl]-2-[4-[[(2-hydroxyethylamino)-thioxomethyl]amino]phenyl]ethyl]-(carboxymethyl)amino]acetic acid
  • 2-[[(2s)-1-(bis(carboxymethyl)amino)-3-[4-(2-hydroxyethylcarbamothioylamino)phenyl]propan-2-yl]-(carboxymethyl)amino]ethanoic acid
  • [(1-[(bis-carboxymethyl-amino)-methyl]-2-{4-[3-(2-hydroxy-ethyl)-thioureido]-pheny}-ethyl)-carboxymethyl-amino]-acetic acid
  • eot
  • eotube
  • glycine, n,n'-(1-((4-((((2-hydroxyethyl)amino)thioxomethyl)amino)phenyl)methyl)-1,2-ethanediyl)bis(n-(carboxymethyl)-
  • hydroxyethylthiourea-benzyl-edta
CAS Number(s)
  • 128817-30-1
InChIKey PQYGLZAKNWQTCV-HNNXBMFYSA-N
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