(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-Phenylpropan-2-Yloxy)Oxane-2-Carboxylic Acid
[CAS# 106760-29-6]

Identification

• Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(2-Phenylpropan-2-Yloxy)Oxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(1-Methyl-1-Phenyl-Ethoxy)Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(1-Methyl-1-Phenylethoxy)-2-Tetrahydropyrancarboxylic Acid; 2-Phenyl-2-Propyl Glucuronide
• Molecular Formula: C₁₅H₂₀O₇
• Molecular Weight: 312.32
• CAS Registry Number: 106760-29-6
• SMILES: [C@H]2(OC(C)(C1=CC=CC=C1)C)[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)C(=O)O
• InChI: 1S/C15H20O7/c1-15(2,8-6-4-3-5-7-8)22-14-11(18)9(16)10(17)12(21-14)13(19)20/h3-7,9-12,14,16-18H,1-2H3,(H,19,20)/t9-,10-,11+,12-,14-/m0/s1
• InChIKey: IDKZSYGHWZFFSU-HNRZYHPDSA-N

Properties

• Density: 1.409g/cm³ (Cal.)
• Boiling point: 528.397°C at 760 mmHg (Cal.)
• Flash point: 195.834°C (Cal.)