2,6-Di-O-Methyl-alpha-Cyclodextrin
[CAS# 51166-72-4]

Identification

• Name: 2,6-Di-O-Methyl-alpha-Cyclodextrin
• Molecular Formula: C₄₈H₈₄O₃₀
• Molecular Weight: 1141.17
• CAS Registry Number: 51166-72-4
• SMILES: [C@@H]12O[C@H]7O[C@@H]([C@@H](O[C@H]6O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O[C@H]3O[C@@H]([C@@H](O[C@@H](O[C@@H]1COC)[C@H](OC)[C@H]2O)[C@H](O)[C@H]3OC)COC)[C@H](O)[C@H]4OC)COC)[C@H](O)[C@H]5OC)COC)[C@H](O)[C@H]6OC)COC)[C@H](O)[C@H]7OC)COC
• InChI: 1S/C48H84O30/c1-55-13-19-31-25(49)37(61-7)43(67-19)74-32-20(14-56-2)69-45(39(63-9)26(32)50)76-34-22(16-58-4)71-47(41(65-11)28(34)52)78-36-24(18-60-6)72-48(42(66-12)30(36)54)77-35-23(17-59-5)70-46(40(64-10)29(35)53)75-33-21(15-57-3)68-44(73-31)38(62-8)27(33)51/h19-54H,13-18H2,1-12H3/t19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1
• InChIKey: GTXJHJOCVPTNTP-MLJFYOOPSA-N

Properties

• Density: 1.395g/cm³ (Cal.)
• Boiling point: 1099.16°C at 760 mmHg (Cal.)
• Flash point: 618.55°C (Cal.)