HEPTAKIS(2,3,6-TRI-O-ETHYL)-BETA-CYCLODEXTRIN

111689-01-1

MFCD03095440

C84 H154 O35

1724.11

InChI=1S/C84H154O35/c1-22-85-43-50-57-64(92-29-8)71(99-36-15)78(106-50)114-58-51(44-86-23-2)108-80(73(101-38-17)65(58)93-30-9)116-60-53(46-88-25-4)110-82(75(103-40-19)67(60)95-32-11)118-62-55(48-90-27-6)112-84(77(105-42-21)69(62)97-34-13)119-63-56(49-91-28-7)111-83(76(104-41-20)70(63)98-35-14)117-61-54(47-89-26-5)109-81(74(102-39-18)68(61)96-33-12)115-59-52(45-87-24-3)107-79(113-57)72(100-37-16)66(59)94-31-10/h50-84H,22-49H2,1-21H3/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-/m1/s1

InChIKey=OIXDATQKMIKIRF-XEHVGNMASA-N

CCOC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OCC)OCC)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4OCC)OCC)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OCC)OCC)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6OCC)OCC)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7OCC)OCC)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8OCC)OCC)COCC)COCC)COCC)COCC)COCC)COCC)OCC)OCC

H bond donor:0

H bond acceptor:35

XLogP3:-3.0

Bulk/Fine:F

3