53784-83-1 , Heptakis-(6-bromo-6-deoxy)-b-cyclodextrin ; 6-Bromo-6-deoxy-b-cyclodextrin

53784-83-1 , Heptakis-(6-bromo-6-deoxy)-b-cyclodextrin ;
6-Bromo-6-deoxy-b-cyclodextrin
C42H63Br7O28 / 1575.26

Heptakis-(6-bromo-6-deoxy)-b-cyclodextrin ;6-Bromo-6-deoxy-b-cyclodextrin

6-Bromo-6-deoxy-b-cyclodextrin is a fluorescent probe that can be used for the interaction of proteins with anions. The protonated cavity of 6BDCD has high affinity for anions, which is increased by the presence of amino groups. 6BDCD is synthesised from anilinonaphthalene and cyclodextrins. It selectively interacts with anions such as chloride ions and sulfate ions, while not interacting with cations. This property gives 6BDCD potential use in the detection of trace amounts of anions in aqueous solutions, such as those found in biological samples.

CAS Number	53784-83-1
Product Name	Heptakis(6-Bromo-6-Deoxy)-\|A-Cyclodextrin
IUPAC Name	(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(bromomethyl)-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 Formula	C42H63Br7O28
Molecular Weight	1575.3 g/mol
InChI	InChI=1S/C42H63Br7O28/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-42,50-63H,1-7H2/t8-,9-,10-,11-,12-,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-/m1/s1
InChI Key	XNNRROJOWZLYCK-FOUAGVGXSA-N
SMILES	C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CBr)CBr)CBr)CBr)CBr)CBr)O)O)Br
Synonyms	heptakis-6-bromo-6-deoxy-beta-cyclodextrin
Canonical SMILES	C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CBr)CBr)CBr)CBr)CBr)CBr)O)O)Br
Isomeric SMILES	C([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)CBr)CBr)CBr)CBr)CBr)CBr)O)O)Br