Home Other Building Blocks 6-Mercapto-6-deoxy-β-Cyclodextrin

6-Mercapto-6-deoxy-β-Cyclodextrin

CAS No.:
81644-55-5
Catalog Number:
AG00GAPR
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00GAPR
Chemical Name:
6-Mercapto-6-deoxy-β-Cyclodextrin
CAS Number:
81644-55-5
MDL Number:
MFCD31537208
IUPAC Name:
(1S,3S,6S,8S,11S,13S,16S,18S,21S,23R,26S,28S,31S,33S)-5,10,15,20,30,35-hexakis(hydroxymethyl)-25-(sulfanylmethyl)-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
InChI:
InChI=1S/C42H70O34S/c43-1-8-29-16(50)23(57)37(64-8)72-31-10(3-45)66-39(25(59)18(31)52)74-33-12(5-47)68-41(27(61)20(33)54)76-35-14(7-77)69-42(28(62)21(35)55)75-34-13(6-48)67-40(26(60)19(34)53)73-32-11(4-46)65-38(24(58)17(32)51)71-30-9(2-44)63-36(70-29)22(56)15(30)49/h8-62,77H,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:
KBQFCFNGXZCYMC-QBGFUXPASA-N
Properties
Complexity:
1840  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
14  
Defined Bond Stereocenter Count:
0
Exact Mass:
1150.347g/mol
Formal Charge:
0
Heavy Atom Count:
77  
Hydrogen Bond Acceptor Count:
35  
Hydrogen Bond Donor Count:
21  
Isotope Atom Count:
0
Molecular Weight:
1151.048g/mol
Monoisotopic Mass:
1150.347g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
535A^2
Undefined Atom Stereocenter Count:
21  
Undefined Bond Stereocenter Count:
0
XLogP3:
-14  
Properties