4-Methoxyphenyl beta-L-allopyranosyl-(1->4)-alpha-L-allopyranosyl-(1->4)-alpha-L-gulopyranoside
[CAS# 898826-64-7]

Identification

• Name: 4-Methoxyphenyl beta-L-allopyranosyl-(1->4)-alpha-L-allopyranosyl-(1->4)-alpha-L-gulopyranoside
• Synonyms: Gb3-β-MP
• Molecular Formula: C₂₅H₃₈O₁₇
• Molecular Weight: 610.56
• CAS Registry Number: 898826-64-7
• SMILES: COc1ccc(cc1)O[C@H]2[C@H]([C@H]([C@@H]([C@@H](O2)CO)O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O[C@@H]4[C@H]([C@H]([C@H]([C@@H](O4)CO)O)O)O)O)O)O)O
• InChI: 1S/C25H38O17/c1-36-9-2-4-10(5-3-9)37-23-19(34)16(31)21(12(7-27)39-23)42-25-20(35)17(32)22(13(8-28)40-25)41-24-18(33)15(30)14(29)11(6-26)38-24/h2-5,11-35H,6-8H2,1H3/t11-,12-,13-,14-,15-,16+,17+,18-,19-,20-,21+,22-,23+,24+,25-/m0/s1
• InChIKey: SADQXSYAYSUILX-QJDRNXISSA-N

Properties

• Density: 1.663g/cm³ (Cal.)
• Boiling point: 923.95°C at 760 mmHg (Cal.)
• Flash point: 512.587°C (Cal.)
• Refractive index: 1.662 (Cal.)