2-[2-Oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-Yl]Acetic Acid
[CAS# 127615-74-1]

Identification

• Name: 2-[2-Oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-Yl]Acetic Acid
• Synonyms: 2-[2-Oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromen-4-Yl]Acetic Acid; 2-[2-Oxo-7-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Chromenyl]Acetic Acid; 2-[2-Keto-7-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Chromen-4-Yl]Acetic Acid
• Molecular Formula: C₁₇H₁₈O₁₀
• Molecular Weight: 382.32
• CAS Registry Number: 127615-74-1
• SMILES: [C@@H]3(OC1=CC=C2C(=C1)OC(=O)C=C2CC(=O)O)O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO
• InChI: 1S/C17H18O10/c18-6-11-14(22)15(23)16(24)17(27-11)25-8-1-2-9-7(3-12(19)20)4-13(21)26-10(9)5-8/h1-2,4-5,11,14-18,22-24H,3,6H2,(H,19,20)/t11-,14+,15+,16-,17-/m1/s1
• InChIKey: QFIOCPUZLBGHSQ-RDZAWVCESA-N

Properties

• Density: 1.631g/cm³ (Cal.)
• Boiling point: 736.364°C at 760 mmHg (Cal.)
• Flash point: 269.984°C (Cal.)