Home Sulfos Mono-6-O-(p-toluenesulfonyl)-γ-cyclodextrin

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

CAS No.:
97227-33-3
Catalog Number:
AG003S5D
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
200mg
>90.0%(HPLC)
1 week
United States
$628
- +
Product Description
Catalog Number:
AG003S5D
Chemical Name:
Mono-6-O-(p-toluenesulfonyl)-γ-cyclodextrin
CAS Number:
97227-33-3
MDL Number:
MFCD09038533
IUPAC Name:
[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-5,10,15,25,30,35,40-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-20-yl]methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C55H86O42S/c1-14-2-4-15(5-3-14)98(79,80)81-13-23-47-31(70)39(78)55(89-23)96-46-22(12-62)87-53(37(76)29(46)68)94-44-20(10-60)85-51(35(74)27(44)66)92-42-18(8-58)83-49(33(72)25(42)64)90-40-16(6-56)82-48(32(71)24(40)63)91-41-17(7-57)84-50(34(73)26(41)65)93-43-19(9-59)86-52(36(75)28(43)67)95-45-21(11-61)88-54(97-47)38(77)30(45)69/h2-5,16-78H,6-13H2,1H3/t16-,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-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m1/s1
InChI Key:
DSTZIMMHXKJUSO-CEUKPONPSA-N
Properties
Complexity:
2580  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
40  
Defined Bond Stereocenter Count:
0
Exact Mass:
1450.431g/mol
Formal Charge:
0
Heavy Atom Count:
98  
Hydrogen Bond Acceptor Count:
42  
Hydrogen Bond Donor Count:
23  
Isotope Atom Count:
0
Molecular Weight:
1451.311g/mol
Monoisotopic Mass:
1450.431g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
665A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-15.1  
Properties