CAS 32860-56-3 Mono-6-O-(p-toluenesulfonyl)-α-cyclodextrin

NAVIGATION

Mono-6-O-(p-toluenesulfonyl)-α-cyclodextrin

PRICE INQUIRY

Catalog Number

ACM32860563-1

CAS Number

32860-56-3

Product Name

Mono-6-O-(p-toluenesulfonyl)-α-cyclodextrin

Structure

Category

Supramolecular Host Materials

IUPAC Name

[(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,32S,34S,36S,38S,40S,42S)-31,32,33,34,35,36,37,38,39,40,41,42-dodecahydroxy-10,15,20,25,30-pentakis(hydroxymethyl)-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]dotetracontan-5-yl]methyl 4-methylbenzenesulfonate

Molecular Weight

1127g/mol

Molecular Formula

C43H66O32S

Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(C(C(O2)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O3)C(C8O)O)CO)CO)CO)CO)CO)O)O

InChI

InChI=1S/C43H66O32S/c1-12-2-4-13(5-3-12)76(61,62)63-11-19-37-25(54)31(60)43(69-19)74-36-18(10-48)67-41(29(58)23(36)52)72-34-16(8-46)65-39(27(56)21(34)50)70-32-14(6-44)64-38(26(55)20(32)49)71-33-15(7-45)66-40(28(57)22(33)51)73-35-17(9-47)68-42(75-37)30(59)24(35)53/h2-5,14-60H,6-11H2,1H3/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+/m0/s1

InChI Key

ARQITQMHQNGIEE-FJFUKXEISA-N

Complexity

1940

Covalently-Bonded Unit Count

Exact Mass

1126.325791g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

1126.325791g/mol

Rotatable Bond Count