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32860-56-3 | MONO-6-O-(P-TOLUENESULFONYL)-ALPHA-CYCLODEXTRIN
CAS No: 32860-56-3 Catalog No: AG003S5B MDL No:
Product Description
Catalog Number:
AG003S5B
Chemical Name:
MONO-6-O-(P-TOLUENESULFONYL)-ALPHA-CYCLODEXTRIN
CAS Number:
32860-56-3
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
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
Properties
Complexity:
1940
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
18
Defined Bond Stereocenter Count:
0
Exact Mass:
1126.326g/mol
Formal Charge:
0
Heavy Atom Count:
76
Hydrogen Bond Acceptor Count:
32
Hydrogen Bond Donor Count:
17
Isotope Atom Count:
0
Molecular Weight:
1127.029g/mol
Monoisotopic Mass:
1126.326g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
506A^2
Undefined Atom Stereocenter Count:
12
Undefined Bond Stereocenter Count:
0
XLogP3:
-10.8
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