Mono-(6-(triethylenetetraamine)-6-deoxy)-β-Cyclodextrin

CAS	65294-33-9
Synonyms	6A-[[2-[[2-[(2-Aminoethyl)amino]ethyl]amino]ethyl]amino]-6A-deoxy-β-Cyclodextrin
IUPAC Name	(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5-[[2-[2-(2-aminoethylamino)ethylamino]ethylamino]methyl]-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
Molecular Weight	1263.2
Molecular Formula	C48H86N4O34
Canonical SMILES	C(CNCCNCCNC[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]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)N
InChI	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/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
InChI Key	HROGENJBMJHDFH-IHHCOHTPSA-N
Purity	98%
Density	1.521±0.06 g/ml
Appearance	White to off-white powder