Mono-(6-(1,6-hexamethylenediamine)-6-deoxy)-β-Cyclodextrin

CAS	131991-61-2
Synonyms	6-[(2-aminohexyl)amino]-6-deoxy-β-CD
IUPAC Name	(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,42R,43R,44R,45R,46R,47R,48R,49R)-5-[(6-aminohexylamino)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	1233.17
Molecular Formula	C48H84N2O34
Canonical SMILES	C(CCCNCC1[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)CCN
InChI	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
InChI Key	QRGCMRZAXCTAMQ-FFMGLJBNSA-N
Purity	98%
Density	1.517±0.06 g/ml
Appearance	White to off-white powder