Home Sulfos β-Cyclodextrin, heptakis-O-(4-sulfobutyl)-

β-Cyclodextrin, heptakis-O-(4-sulfobutyl)-

CAS No.:
165133-56-2
Catalog Number:
AG001VAK
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG001VAK
Chemical Name:
β-Cyclodextrin, heptakis-O-(4-sulfobutyl)-
CAS Number:
165133-56-2
MDL Number:
MFCD01940876
IUPAC Name:
4-[[36,37,38,39,40,41,42,43,44,45,46,48,49-tridecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-47-(4-sulfobutoxy)-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]nonatetracontan-10-yl]methoxy]butane-1-sulfonic acid
InChI:
InChI=1S/C50H86O41S2/c51-9-16-36-23(57)29(63)45(78-16)86-38-18(11-53)80-47(31(65)25(38)59)88-40-20(13-55)82-49(33(67)27(40)61)90-42-22(15-76-5-1-3-7-92(70,71)72)84-50(43(35(42)69)77-6-2-4-8-93(73,74)75)91-41-21(14-56)83-48(34(68)28(41)62)89-39-19(12-54)81-46(32(66)26(39)60)87-37-17(10-52)79-44(85-36)30(64)24(37)58/h16-69H,1-15H2,(H,70,71,72)(H,73,74,75)
InChI Key:
UKAWYWGUNZUQQR-UHFFFAOYSA-N
Properties
Complexity:
2490  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1406.409g/mol
Formal Charge:
0
Heavy Atom Count:
93  
Hydrogen Bond Acceptor Count:
41  
Hydrogen Bond Donor Count:
21  
Isotope Atom Count:
0
Molecular Weight:
1407.317g/mol
Monoisotopic Mass:
1406.409g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
658A^2
Undefined Atom Stereocenter Count:
35  
Undefined Bond Stereocenter Count:
0
XLogP3:
-14.7  
Properties