2-Phenyl-1-Propyl Glucuronide
[CAS# 84718-96-7]

Identification

• Name: 2-Phenyl-1-Propyl Glucuronide
• Synonyms: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(2-Phenylpropoxy)Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(2-Phenylpropoxy)-2-Tetrahydropyrancarboxylic Acid; 2-Phenyl-1-Propyl Glucuronide
• Molecular Formula: C₁₅H₂₀O₇
• CAS Registry Number: 84718-96-7
• SMILES: [C@H]2(OCC(C)C1=CC=CC=C1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)C(=O)O
• InChI: 1S/C15H20O7/c1-8(9-5-3-2-4-6-9)7-21-15-12(18)10(16)11(17)13(22-15)14(19)20/h2-6,8,10-13,15-18H,7H2,1H3,(H,19,20)/t8?,10-,11-,12+,13-,15+/m0/s1
• InChIKey: AXRXFIIKFZZHGS-AEIUROHVSA-N

Properties

• Density: 1.408g/cm³ (Cal.)
• Boiling point: 530.118°C at 760 mmHg (Cal.)
• Flash point: 196.54°C (Cal.)