Xanthurenic Acid 8-O-Glucoside
[CAS# 97451-32-6]

Identification

• Name: Xanthurenic Acid 8-O-Glucoside
• Synonyms: 4-Oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1H-Quinoline-2-Carboxylic Acid; 4-Oxo-8-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1H-Quinoline-2-Carboxylic Acid; 4-Keto-8-[(2S,3R,4S,5
• Molecular Formula: C₁₆H₁₇NO₉
• Molecular Weight: 367.31
• CAS Registry Number: 97451-32-6
• SMILES: [C@@H]3(OC2=C1NC(=CC(=O)C1=CC=C2)C(=O)O)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
• InChI: 1S/C16H17NO9/c18-5-10-12(20)13(21)14(22)16(26-10)25-9-3-1-2-6-8(19)4-7(15(23)24)17-11(6)9/h1-4,10,12-14,16,18,20-22H,5H2,(H,17,19)(H,23,24)/t10-,12-,13+,14-,16-/m1/s1
• InChIKey: MYFHOUJDPFBJLH-RSQMQNDGSA-N

Properties

• Density: 1.674g/cm³ (Cal.)
• Boiling point: 681.734°C at 760 mmHg (Cal.)
• Flash point: 366.1°C (Cal.)