单(6-己二胺基-6-去氧)-β-环糊精(131991-61-2)名称与标识符
名称
中文别名:
单(6-己二胺基-6-去氧)-β-环糊精;6A-[(6-氨基己基)氨基]-6A-脱氧-beta-环糊精;己二胺-Β-环糊精;单已二胺基倍他环糊精;单(6-己二胺基-6-去氧)倍他环糊精;单取代-6-(1,6-己二胺)-倍他环糊精;单(6-己二胺基-6-去氧)倍它环糊精;
英文别名:
mono-(6-(1,6-hexamethylenediamine)-6-deoxy)-β-Cyclodextrin;Mono-(6-(1,6-Hexamethylenediamine)-6-Deoxy)-Beta-Cyclodextrin;Mono-(6-(1,6-hexamethylenediamine)-6-deoxy)-;A-Cyclodextrin;(1S,3R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R;E76370;Mono-(6-(1,6-hexamethylenediamine)-6-deoxy)-|A-Cyclodextrin;131991-61-2;BS-50261;
标识符
InChIKey:
QRGCMRZAXCTAMQ-FFMGLJBNSA-N
Inchi:
1S/C48H84N2O34/c49-5-3-1-2-4-6-50-7-14-35-21(57)28(64)42(71-14)79-36-15(8-51)73-44(30(66)23(36)59)81-38-17(10-53)75-46(32(68)25(38)61)83-40-19(12-55)77-48(34(70)27(40)63)84-41-20(13-56)76-47(33(69)26(41)62)82-39-18(11-54)74-45(31(67)24(39)60)80-37-16(9-52)72-43(78-35)29(65)22(37)58/h14-48,50-70H,1-13,49H2/t14?,15-,16-,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-/m1/s1
SMILES:
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(CNCCCCCCN)O2)O)O)O)O)O)O)O)O)O)O)O)O)O)O