(2S,2'S)-2,2'-(1,3-Propanediyldiimino)Bis[(2-Hydroxy-3,5-Dimethylphenyl)Acetic Acid]

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Properties Simple | Detailed

Formula C23H30N2O6
IUPAC Name (2s)-2-[3-[[(s)-carboxy-(2-hydroxy-3,5-dimethyl-phenyl)methyl]amino]propylamino]-2-(2-hydroxy-3,5-dimethyl-phenyl)acetic acid
Molecular Mass 430.494 g·mol−1
Heat of Formation -1118.0 ± 16.7 kJ·mol−1
Dipole Moment 6.93 ± 1.08 D
Volume 517.35 Å 3
Surface Area 385.64 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(2-hydroxy-3,5-dimethyl-phenyl)-2-[3-[[(1s)-2-hydroxy-1-(2-hydroxy-3,5-dimethyl-phenyl)-2-keto-ethyl]amino]propylamino]acetic acid
  • (2s)-2-(2-hydroxy-3,5-dimethyl-phenyl)-2-[3-[[(1s)-2-hydroxy-1-(2-hydroxy-3,5-dimethyl-phenyl)-2-oxo-ethyl]amino]propylamino]acetic acid
  • (2s)-2-(2-hydroxy-3,5-dimethyl-phenyl)-2-[3-[[(1s)-2-hydroxy-1-(2-hydroxy-3,5-dimethyl-phenyl)-2-oxo-ethyl]amino]propylamino]ethanoic acid
  • (2s)-2-(2-hydroxy-3,5-dimethylphenyl)-2-[3-[[(1s)-2-hydroxy-1-(2-hydroxy-3,5-dimethylphenyl)-2-oxoethyl]amino]propylamino]acetic acid
  • n,n'-trimethylenebis(2-(2-hydroxy-3,5-dimethylphenyl)glycine)
  • tmphpg
CAS Number(s)
  • 132750-98-2
InChIKey OJVWNIOUUIQEBC-OALUTQOASA-N
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