53784-82-0 , Hexakis-(6-bromo-6-deoxy)-a-cyclodextrin ; 6-Bromo-6-deoxy-a-cyclodextrin

53784-82-0 , Hexakis-(6-bromo-6-deoxy)-a-cyclodextrin ;
6-Bromo-6-deoxy-a-cyclodextrin
Cas:53784-82-0
C36H54Br6O24 / 1350.22

Hexakis-(6-bromo-6-deoxy)-a-cyclodextrin ; 6-Bromo-6-deoxy-a-cyclodextrin

6-Bromo-6-deoxy-a-cyclodextrin is a synthetic glycosylation product that is used as a building block for oligosaccharides and polysaccharides. It is prepared by the reaction of 6-bromo-6-deoxymannose with sodium bicarbonate in an alkaline solution, followed by treatment with ethylene bromide to introduce the fluorine atom.

CAS Number	53784-82-0
Product Name	(1S,3S,6S,8S,11S,13S,16S,18S,21S,23S,26S,28S)-5,10,15,20,25,30-Hexakis(bromomethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
IUPAC Name	(1S,3S,6S,8S,11S,13S,16S,18S,21S,23S,26S,28S)-5,10,15,20,25,30-hexakis(bromomethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
Molecular Formula	C36H54Br6O24
Molecular Weight	1350.22 g/mol
InChI	InChI=1S/C36H54Br6O24/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-36,43-54H,1-6H2/t7?,8?,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-/m1/s1
InChI Key	PYIHGELJTCLTHO-JSPYPFAESA-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(O2)C(C7O)O)CBr)CBr)CBr)CBr)CBr)O)O)Br
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(O2)C(C7O)O)CBr)CBr)CBr)CBr)CBr)O)O)Br
Isomeric SMILES	C(C1[C@@H]2C(C([C@H](O1)O[C@@H]3C(O[C@@H](C(C3O)O)O[C@@H]4C(O[C@@H](C(C4O)O)O[C@@H]5C(O[C@@H](C(C5O)O)O[C@@H]6C(O[C@@H](C(C6O)O)O[C@@H]7C(O[C@H](O2)C(C7O)O)CBr)CBr)CBr)CBr)CBr)O)O)Br