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

CAS	65294-32-8
Synonyms	β-Cyclodextrin,6A-[[2-[(2-aminoethyl)amino]ethyl]amino]-6A-deoxy
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-aminoethylamino)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	1220.14
Molecular Formula	C46H81N3O34
Canonical SMILES	C(CNCCNC[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/C46H81N3O34/c47-1-2-48-3-4-49-5-12-33-19(56)26(63)40(70-12)78-34-13(6-50)72-42(28(65)21(34)58)80-36-15(8-52)74-44(30(67)23(36)60)82-38-17(10-54)76-46(32(69)25(38)62)83-39-18(11-55)75-45(31(68)24(39)61)81-37-16(9-53)73-43(29(66)22(37)59)79-35-14(7-51)71-41(77-33)27(64)20(35)57/h12-46,48-69H,1-11,47H2/t12-,13-,14-,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-/m1/s1
InChI Key	FUVJKMDJYLUFBZ-ITVKMGITSA-N
Purity	98%
Density	1.547±0.06 g/ml
Appearance	White to off-white powder