(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[2-Hydroxy-2-(4-Hydroxy-3-Methoxyphenyl)Ethoxy]Oxane-2-Carboxylic Acid
[CAS# 52002-41-2]

Identification

• Name: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[2-Hydroxy-2-(4-Hydroxy-3-Methoxyphenyl)Ethoxy]Oxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[2-Hydroxy-2-(4-Hydroxy-3-Methoxy-Phenyl)Ethoxy]Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[2-Hydroxy-2-(4-Hydroxy-3-Methoxyphenyl)Ethoxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[2-Hydroxy-2-(4-Hydroxy-3-Methoxy-Phenyl)Ethoxy]Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₅H₂₀O₁₀
• Molecular Weight: 360.32
• CAS Registry Number: 52002-41-2
• SMILES: [C@H]2(OCC(O)C1=CC=C(C(=C1)OC)O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)C(=O)O
• InChI: 1S/C15H20O10/c1-23-9-4-6(2-3-7(9)16)8(17)5-24-15-12(20)10(18)11(19)13(25-15)14(21)22/h2-4,8,10-13,15-20H,5H2,1H3,(H,21,22)/t8?,10-,11-,12+,13-,15+/m0/s1
• InChIKey: JSGYXENDBAJOJI-AEIUROHVSA-N

Properties

• Density: 1.625g/cm³ (Cal.)
• Boiling point: 680.95°C at 760 mmHg (Cal.)
• Flash point: 251.475°C (Cal.)