Mono-(6-Tetraethylenepentamine-6-deoxy)-β-cyclodextrin | CAS No. 343315-27-5

O1[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@@H]2[C@@H]([C@H]([C@H]1C(CNCCNCCNCCNCCN)O2)O)O)O)O)O)O)O)O)O)O)O)O)O)O

InChI

1S/C50H91N5O34/c51-1-2-52-3-4-53-5-6-54-7-8-55-9-16-37-23(62)30(69)44(76-16)84-38-17(10-56)78-46(32(71)25(38)64)86-40-19(12-58)80-48(34(73)27(40)66)88-42-21(14-60)82-50(36(75)29(42)68)89-43-22(15-61)81-49(35(74)28(43)67)87-41-20(13-59)79-47(33(72)26(41)65)85-39-18(11-57)77-45(83-37)31(70)24(39)63/h16-50,52-75H,1-15,51H2/t16?,17-,18-,19-,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-,49-,50-/m1/s1

InChIKey

MVUUNAABEYLRIC-YAFYOUFTSA-N

LogP

-16.90579999999997

Topological Polar Surface Area

607.9600000000002 Ų

Hydrogen Bond Donor/Acceptor

26 / 39

Complexity

2070