5-[(3S,4S,5S)-5-Carboxy-4-(carboxymethyl)-3-pyrrolidinyl]-6-oxo-1,6-dihydro-2-pyridinecarboxylic acid
[CAS# 86630-09-3]

Identification

• Name: 5-[(3S,4S,5S)-5-Carboxy-4-(carboxymethyl)-3-pyrrolidinyl]-6-oxo-1,6-dihydro-2-pyridinecarboxylic acid
• 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-(3α,4α,5β))-; acromelic acid A
• Molecular Formula: C₁₃H₁₄N₂O₇
• Molecular Weight: 310.26
• CAS Registry Number: 86630-09-3
• SMILES: O=C(O)C=1NC(=O)\C(=C/C=1)[C@@H]2[C@@H]([C@@H](C(=O)O)NC2)CC(=O)O
• InChI: 1S/C13H14N2O7/c16-9(17)3-6-7(4-14-10(6)13(21)22)5-1-2-8(12(19)20)15-11(5)18/h1-2,6-7,10,14H,3-4H2,(H,15,18)(H,16,17)(H,19,20)(H,21,22)/t6-,7+,10-/m0/s1
• InChIKey: CWXNEBSQRIECMV-PJKMHFRUSA-N

Properties

• Density: 1.578g/cm³ (Cal.)
• Boiling point: 740.483°C at 760 mmHg (Cal.)
• Flash point: 401.63°C (Cal.)