Methyl (5xi)-2,3,4-tri-O-benzoyl-alpha-D-lyxo-hexopyranosyluronate bromide
[CAS# 103674-69-7]

Identification

• Name: Methyl (5xi)-2,3,4-tri-O-benzoyl-alpha-D-lyxo-hexopyranosyluronate bromide
• Synonyms: Bromo-2,3,4-tri-O-benzoyl-¦Á-D-glucuronic Acid Methyl Ester; Bromo-2,3,4-tri-O-benzoyl-α-D-glucuronic Acid Methyl Ester
• Molecular Formula: C₂₈H₂₃BrO₉
• Molecular Weight: 583.38
• CAS Registry Number: 103674-69-7
• SMILES: COC(=O)C1[C@H]([C@@H]([C@@H]([C@H](O1)Br)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4
• InChI: 1S/C28H23BrO9/c1-34-28(33)23-21(37-26(31)18-13-7-3-8-14-18)20(36-25(30)17-11-5-2-6-12-17)22(24(29)35-23)38-27(32)19-15-9-4-10-16-19/h2-16,20-24H,1H3/t20-,21-,22-,23?,24-/m0/s1
• InChIKey: KXTNIKNREDJJSO-ROAXMFLYSA-N

Properties

• Density: 1.507g/cm³ (Cal.)
• Boiling point: 653.035°C at 760 mmHg (Cal.)
• Flash point: 348.743°C (Cal.)
• Refractive index: 1.627 (Cal.)