Acromelic Acid B

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Properties Simple | Detailed

Formula C13H14N2O7
IUPAC Name 3-[(3s,4s,5s)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-oxo-pyridine-2-carboxylic acid
Molecular Mass 310.259 g·mol−1
Heat of Formation -1209.6 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 335.66 Å 3
Surface Area 280.15 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 2-pyridinecarboxylic acid, 3-((3s,4s,5s)-5-carboxy-4-(carboxymethyl)-3-pyrrolidinyl)-1,6-dihydro-6-oxo-
  • 3-[(3s,4s,5s)-5-carboxy-4-(carboxymethyl)-3-pyrrolidinyl]-6-oxo-1h-pyridine-2-carboxylic acid
  • 3-[(3s,4s,5s)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-keto-1h-pyridine-2-carboxylic acid
  • 3-[(3s,4s,5s)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-oxo-1h-pyridine-2-carboxylic acid
CAS Number(s)
  • 86630-10-6
InChIKey YQDHGMPCSWNBFG-PJKMHFRUSA-N
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