4-O-(2,3,4,6-Tetra-O-Acetyl-beta-D-Glucopyranosyl)-alpha-D-Glucopyranosyl Bromide 2,3,6-Triacetate
[CAS# 14227-66-8]

Identification

• Name: 4-O-(2,3,4,6-Tetra-O-Acetyl-beta-D-Glucopyranosyl)-alpha-D-Glucopyranosyl Bromide 2,3,6-Triacetate
• Synonyms: D-Alpha-Heptaacetobromocellobiose
• Molecular Formula: C₂₆H₃₅BrO₁₇
• Molecular Weight: 699.46
• CAS Registry Number: 14227-66-8
• SMILES: [C@@H]1(OC(Br)C([C@H](C1O[C@@H]2OC([C@H](C([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C
• InChI: 1S/C26H35BrO17/c1-10(28)35-8-17-20(21(38-13(4)31)23(25(27)42-17)40-15(6)33)44-26-24(41-16(7)34)22(39-14(5)32)19(37-12(3)30)18(43-26)9-36-11(2)29/h17-26H,8-9H2,1-7H3/t17-,18?,19-,20?,21+,22?,23?,24-,25?,26+/m1/s1
• InChIKey: NLFHLQWXGDPOME-GLMDSCOTSA-N

Properties

• Density: 1.477g/cm³ (Cal.)
• Boiling point: 659.483°C at 760 mmHg (Cal.)
• Flash point: 352.643°C (Cal.)