2-[6-Oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Pyridin-2-Yl]Acetic Acid
[CAS# 117803-24-4]

Identification

• Name: 2-[6-Oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Pyridin-2-Yl]Acetic Acid
• Synonyms: 2-[6-Oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]-2-Pyridyl]Acetic Acid; 2-[6-Oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]-2-Pyridyl]Acetic Acid; 2-[6-Keto-1-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]-2-Pyridyl]Acetic Acid
• Molecular Formula: C₁₃H₁₇NO₈
• Molecular Weight: 315.28
• CAS Registry Number: 117803-24-4
• SMILES: [C@H]2(N1C(=CC=CC1=O)CC(=O)O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO
• InChI: 1S/C13H17NO8/c15-5-7-10(19)11(20)12(21)13(22-7)14-6(4-9(17)18)2-1-3-8(14)16/h1-3,7,10-13,15,19-21H,4-5H2,(H,17,18)/t7-,10-,11+,12-,13-/m1/s1
• InChIKey: ZDYPNWSRIUIALY-WPTBKURFSA-N

Properties

• Density: 1.647g/cm³ (Cal.)
• Boiling point: 707.775°C at 760 mmHg (Cal.)
• Flash point: 381.849°C (Cal.)