Benzo(a)Pyrenyl-6-Glucuronide
[CAS# 60262-85-3]

Identification

• Name: Benzo(a)Pyrenyl-6-Glucuronide
• Synonyms: (2S,3S,4S,5R)-6-Benzo[B]Pyren-6-Yloxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R)-6-(6-Benzo[B]Pyrenyloxy)-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R)-6-Benzo[B]Pyren-6-Yloxy-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₆H₂₀O₇
• Molecular Weight: 444.44
• CAS Registry Number: 60262-85-3
• SMILES: [C@@H]6(C(OC1=C3C=CC4=CC=CC5=CC=C(C2=CC=CC=C12)C3=C45)O[C@@H]([C@H]([C@@H]6O)O)C(=O)O)O
• InChI: 1S/C26H20O7/c27-20-21(28)24(25(30)31)33-26(22(20)29)32-23-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(23)19(15)18(12)13/h1-11,20-22,24,26-29H,(H,30,31)/t20-,21-,22+,24-,26?/m0/s1
• InChIKey: KFMNIRXSVPJVJN-QKBZUBFZSA-N

Properties

• Density: 1.605g/cm³ (Cal.)
• Boiling point: 785.344°C at 760 mmHg (Cal.)
• Flash point: 275.566°C (Cal.)