Salicylamide Glucuronide
[CAS# 18338-81-3]

Identification

• Name: Salicylamide Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-6-(2-Carbamoylphenoxy)-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-(2-Carbamoylphenoxy)-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-(2-Aminocarbonylphenoxy)-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₃H₁₅NO₈
• Molecular Weight: 313.26
• CAS Registry Number: 18338-81-3
• SMILES: [C@@H]2(O[C@@H](OC1=CC=CC=C1C(=O)N)[C@@H]([C@H]([C@@H]2O)O)O)C(=O)O
• InChI: 1S/C13H15NO8/c14-11(18)5-3-1-2-4-6(5)21-13-9(17)7(15)8(16)10(22-13)12(19)20/h1-4,7-10,13,15-17H,(H2,14,18)(H,19,20)/t7-,8-,9+,10-,13+/m0/s1
• InChIKey: AEMUKQHDNNVAES-CDHFTJPESA-N

Properties

• Density: 1.658g/cm³ (Cal.)
• Boiling point: 657.735°C at 760 mmHg (Cal.)
• Flash point: 351.586°C (Cal.)