3-[(3S,4S,5S)-5-Carboxy-4-(carboxymethyl)-3-pyrrolidinyl]-6-oxo-1,6-dihydro-2-pyridinecarboxylic acid
[CAS# 86630-10-6]

Identification

• Name: 3-[(3S,4S,5S)-5-Carboxy-4-(carboxymethyl)-3-pyrrolidinyl]-6-oxo-1,6-dihydro-2-pyridinecarboxylic acid
• Synonyms: 2-Pyridinecarboxylic acid, 3-((3S,4S,5S)-5-carboxy-4-(carboxymethyl)-3-pyrrolidinyl)-1,6-dihydro-6-oxo-
• Molecular Formula: C₁₃H₁₄N₂O₇
• Molecular Weight: 310.26
• CAS Registry Number: 86630-10-6
• SMILES: O=C\1N\C(=C(/C=C/1)[C@@H]2[C@@H]([C@@H](C(=O)O)NC2)CC(=O)O)C(=O)O
• InChI: 1S/C13H14N2O7/c16-8-2-1-5(11(15-8)13(21)22)7-4-14-10(12(19)20)6(7)3-9(17)18/h1-2,6-7,10,14H,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t6-,7+,10-/m0/s1
• InChIKey: YQDHGMPCSWNBFG-PJKMHFRUSA-N

Properties

• Density: 1.578g/cm³ (Cal.)
• Boiling point: 737.305°C at 760 mmHg (Cal.)
• Flash point: 399.708°C (Cal.)