Salicylic Acid beta-D-O-Glucuronide
[CAS# 7695-70-7]

Identification

• Name: Salicylic Acid beta-D-O-Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-6-(2-Carboxyphenoxy)-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-(2-Carboxyphenoxy)-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-(2-Carboxyphenoxy)-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₃H₁₄O₉
• Molecular Weight: 314.25
• CAS Registry Number: 7695-70-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)OC2=CC=CC=C2C(=O)O
• InChI: 1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-4-2-1-3-5(6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10-,13+/m0/s1
• InChIKey: JSCWDKKMLIQCMR-CDHFTJPESA-N

Properties

• Density: 1.72g/cm³ (Cal.)
• Boiling point: 653.268°C at 760 mmHg (Cal.)
• Flash point: 250.403°C (Cal.)