3-[5-{[3-(2-Carboxyethyl)-4-(Carboxymethyl)-5-Methyl-1H-Pyrrol-2-Yl]Methyl}-4-(Carboxymethyl)-1H-Pyrrol-3-Yl]Propanoic Acid

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Formula C20H24N2O8
IUPAC Name 3-[5-[[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1h-pyrrol-2-yl]methyl]-4-(carboxymethyl)-1h-pyrrol-3-yl]propanoic acid
Molecular Mass 420.413 g·mol−1
Heat of Formation -1531.7 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 496.84 Å 3
Surface Area 411.78 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 3,8-bis(2-carboxyethyl)-2,7-bis(carboxymethyl)-1-methyldipyrromethane
  • 3,8-bis(carboxymethyl)-9-methyl-5,10-dihydrodipyrrin-2,7-dipropionic acid
  • 3,8-bis(carboxymethyl)-9-methyldipyrromethane-2,7-dipropionic acid
  • 3-[2-[[4-(2-carboxyethyl)-3-(carboxymethyl)-1h-pyrrol-2-yl]methyl]-4-(carboxymethyl)-5-methyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[2-[[4-(2-carboxyethyl)-3-(carboxymethyl)-1h-pyrrol-2-yl]methyl]-4-(carboxymethyl)-5-methyl-1h-pyrrol-3-yl]propionic acid
InChIKey LCAXMKQKEYTFDM-UHFFFAOYSA-N
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