1-((1,1'-Biphenyl)-4-Ylhydroxyamino)-1-Deoxy-beta-D-Glucopyranuronic Acid
[CAS# 72586-62-0]

Identification

• Name: 1-((1,1'-Biphenyl)-4-Ylhydroxyamino)-1-Deoxy-beta-D-Glucopyranuronic Acid
• Synonyms: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[Hydroxy-(4-Phenylphenyl)Amino]Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[Hydroxy-(4-Phenylphenyl)Amino]-2-Tetrahydropyrancarboxylic Acid; N-Glucuronide Of N-Hydroxy-4-Aminobiphenyl
• Molecular Formula: C₁₈H₁₉NO₇
• Molecular Weight: 361.35
• CAS Registry Number: 72586-62-0
• SMILES: [C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)N(O)C2=CC=C(C=C2)C3=CC=CC=C3
• InChI: 1S/C18H19NO7/c20-13-14(21)16(18(23)24)26-17(15(13)22)19(25)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-17,20-22,25H,(H,23,24)/t13-,14-,15+,16-,17+/m0/s1
• InChIKey: SMIMBJWOGCTHGZ-ZOFXXKQRSA-N

Properties

• Density: 1.568g/cm³ (Cal.)
• Boiling point: 677.773°C at 760 mmHg (Cal.)
• Flash point: 363.704°C (Cal.)