2-Carboxyphenyl Methyl (5xi)-2,3,4-Tri-O-Acetyl-beta-L-Lyxo-Hexopyranosiduronate
[CAS# 221287-90-7]

Identification

• Name: 2-Carboxyphenyl Methyl (5xi)-2,3,4-Tri-O-Acetyl-beta-L-Lyxo-Hexopyranosiduronate
• Synonyms: Methyl 1-(2-Carboxyphenyl)-2,3,4-tri-O-acetyl-¦Â-D-glucopyranuronate
• Molecular Formula: C₂₀H₂₂O₁₂
• Molecular Weight: 454.38
• CAS Registry Number: 221287-90-7
• SMILES: CC(=O)O[C@H]1[C@H]([C@H](OC([C@@H]1OC(=O)C)C(=O)OC)Oc2ccccc2C(=O)O)OC(=O)C
• InChI: 1S/C20H22O12/c1-9(21)28-14-15(29-10(2)22)17(30-11(3)23)20(32-16(14)19(26)27-4)31-13-8-6-5-7-12(13)18(24)25/h5-8,14-17,20H,1-4H3,(H,24,25)/t14-,15-,16?,17-,20+/m1/s1
• InChIKey: OYMYHWWBEZVDAQ-KQXCKHACSA-N

Properties

• Density: 1.415g/cm³ (Cal.)
• Boiling point: 549.893°C at 760 mmHg (Cal.)
• Flash point: 185.986°C (Cal.)
• Refractive index: 1.548 (Cal.)