5-[(3S,4S,5S)-5-Carboxy-4-(Carboxymethyl)-3-Pyrrolidinyl]-6-Oxo-1,6-Dihydro-2-Pyridinecarboxylic Acid

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Properties Simple | Detailed

Formula C13H14N2O7
IUPAC Name 5-[(3s,4s,5s)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-oxo-1h-pyridine-2-carboxylic acid
Molecular Mass 310.259 g·mol−1
Heat of Formation -1199.8 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 337.71 Å 3
Surface Area 296.67 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • 2-pyridinecarboxylic acid, 5-((3s,4s,5s)-5-carboxy-4-(carboxymethyl)-3-pyrrolidinyl)-1,6-dihydro-6-oxo-
  • 2-pyridinecarboxylic acid, 5-(5-carboxy-4-(carboxymethyl)-3-pyrrolidinyl)-1,6-dihydro-6-oxo-, (3s-(3alpha,4alpha,5beta))-
  • 5-[(3s,4s,5s)-5-carboxy-4-(carboxymethyl)-3-pyrrolidinyl]-6-oxo-1h-pyridine-2-carboxylic acid
  • 5-[(3s,4s,5s)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-keto-1h-pyridine-2-carboxylic acid
  • 5-[(3s,4s,5s)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-oxo-1h-pyridine-2-carboxylic acid
CAS Number(s)
  • 86630-09-3
InChIKey CWXNEBSQRIECMV-PJKMHFRUSA-N
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