(2R)-1-[(E)-2-[(2S)-2-Carboxy-6-(Dihydroxymethylidene)-2,3-Dihydro-1H-Pyridin-4-Yl]Ethenyl]-5,6-Dioxo-2,3-Dihydroindole-2-Carboxylic Acid
[CAS# 48218-81-1]

Identification

• Name: (2R)-1-[(E)-2-[(2S)-2-Carboxy-6-(Dihydroxymethylidene)-2,3-Dihydro-1H-Pyridin-4-Yl]Ethenyl]-5,6-Dioxo-2,3-Dihydroindole-2-Carboxylic Acid
• Synonyms: (2R)-1-[(E)-2-[(2S)-2-Carboxy-6-(Dihydroxymethylene)-2,3-Dihydro-1H-Pyridin-4-Yl]Vinyl]-5,6-Dioxo-2,3-Dihydroindole-2-Carboxylic Acid; (2R)-1-[(E)-2-[(2S)-2-Carboxy-6-(Dihydroxymethylene)-2,3-Dihydro-1H-Pyridin-4-Yl]Vinyl]-5,6-Diketo-2,3-Dihydroindole-2-Carboxylic Acid; 2,6-Pyridinedicarboxylic Acid, 4-(2-((2S)-2-Carboxy-2,3-Dihydro-5,6-Dihydroxy-1H-Indol-1-Yl)Ethenyl)-2,3-Dihydro-, (2S)-
• Molecular Formula: C₁₈H₁₆N₂O₈
• Molecular Weight: 388.33
• CAS Registry Number: 48218-81-1
• SMILES: [C@H]2(N(C1=CC(=O)C(=O)C=C1C2)\C=C\C3=CC(N[C@@H](C3)C(O)=O)=C(O)O)C(O)=O
• InChI: 1S/C18H16N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13,19,23-24H,4-5H2,(H,25,26)(H,27,28)/b2-1+/t11-,13+/m0/s1
• InChIKey: PHGYRWDYJWBGFA-BFIGBBASSA-N

Properties

• Density: 1.712g/cm³ (Cal.)
• Boiling point: 693.235°C at 760 mmHg (Cal.)
• Flash point: 373.055°C (Cal.)