mono-(6-(triethylenetetraamine)-6-deoxy)-β-Cyclodextrin（CAS番号：65294-33-9）

O1C2([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O2)OC2([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O2)OC2([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O2)OC2([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O2)OC2([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O2)OC2([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O2)OC2([H])C([H])(C([H])(C1([H])C([H])(C([H])([H])N([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])N([H])[H])O2)O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H])O[H]

InChI

1S/C48H86N4O34/c49-1-2-50-3-4-51-5-6-52-7-14-35-21(59)28(66)42(73-14)81-36-15(8-53)75-44(30(68)23(36)61)83-38-17(10-55)77-46(32(70)25(38)63)85-40-19(12-57)79-48(34(72)27(40)65)86-41-20(13-58)78-47(33(71)26(41)64)84-39-18(11-56)76-45(31(69)24(39)62)82-37-16(9-54)74-43(80-35)29(67)22(37)60/h14-48,50-72H,1-13,49H2

InChIKey

HROGENJBMJHDFH-UHFFFAOYSA-N

LogP

-16.495399999999975

トポロジカル極性表面積

595.9300000000002 Ų

水素結合ドナー/アクセプター

25 / 38

複雑度

2010