(2S,2'S)-2,2'-{1,2-Ethanediylbis[(Carboxymethyl)Imino]}Bis[(2-Hydroxyphenyl)Acetic Acid]

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Properties Simple | Detailed

Formula C22H24N2O10
IUPAC Name (2s)-2-[2-[[(s)-carboxy-(2-hydroxyphenyl)methyl]-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-2-(2-hydroxyphenyl)acetic acid
Molecular Mass 476.433 g·mol−1
Heat of Formation -1640.8 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 535.63 Å 3
Surface Area 397.25 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[carboxymethyl-[2-[carboxymethyl-[(1s)-2-hydroxy-1-(2-hydroxyphenyl)-2-keto-ethyl]amino]ethyl]amino]-2-(2-hydroxyphenyl)acetic acid
  • (2s)-2-[carboxymethyl-[2-[carboxymethyl-[(1s)-2-hydroxy-1-(2-hydroxyphenyl)-2-oxo-ethyl]amino]ethyl]amino]-2-(2-hydroxyphenyl)acetic acid
  • (2s)-2-[carboxymethyl-[2-[carboxymethyl-[(1s)-2-hydroxy-1-(2-hydroxyphenyl)-2-oxo-ethyl]amino]ethyl]amino]-2-(2-hydroxyphenyl)ethanoic acid
  • dhde
  • glycine, n,n'-ethylenebis(n-(carboxymethyl)-2-(o-hydroxyphenyl)-
  • n,n'-bis(hydroxycarbonylmethyl)-n,n'-bis(alpha-hydroxycarbonyl-2-hydroxytolyl)diaminoethane
CAS Number(s)
  • 95134-61-5
InChIKey OKTLIOWWGVGPKG-PMACEKPBSA-N
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