Fragilin
[CAS# 19764-02-4]

Identification

• Name: Fragilin
• Synonyms: [(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-[2-(Hydroxymethyl)Phenoxy]Tetrahydropyran-2-Yl]Methyl Acetate; Acetic Acid [(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-[2-(Hydroxymethyl)Phenoxy]-2-Tetrahydropyranyl]Methyl Ester; Acetic Acid [(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(2-Methylolphenoxy)Tetrahydropyran-2-Yl]Methyl Ester
• Molecular Formula: C₁₅H₂₀O₈
• Molecular Weight: 328.32
• CAS Registry Number: 19764-02-4
• SMILES: [C@H]1([C@H]([C@H](O)[C@H]([C@@H](O1)COC(=O)C)O)O)OC2=CC=CC=C2CO
• InChI: 1S/C15H20O8/c1-8(17)21-7-11-12(18)13(19)14(20)15(23-11)22-10-5-3-2-4-9(10)6-16/h2-5,11-16,18-20H,6-7H2,1H3/t11-,12-,13+,14-,15-/m0/s1
• InChIKey: IERQJNGBILWLCY-RMEBNNNOSA-N

Properties

• Density: 1.432g/cm³ (Cal.)
• Boiling point: 542.258°C at 760 mmHg (Cal.)
• Flash point: 200.071°C (Cal.)