Beta-Cyclodextrin

Chemical Information
Beta-cyclodextrin is a cyclodextrin composed of seven alpha-(14) linked D-glucopyranose units.
| CAS Number | 7585-39-9 |
| PubChem CID | 444041 |
| IUPAC Name | (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-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 |
| Molecular Formula | C42H70O35 |
| Molecular Weight | 1135.0 |
| XLogP | -15 |
| Topological Polar Surface Area | 554 |
| Hydrogen Bond Donor Count | 21 |
| Hydrogen Bond Acceptor Count | 35 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 77 |
| Formal Charge | 0 |
| Complexity | 1480 |
| Property | Value |
|---|---|
| Molecular Weight | 1135.0 |
| XLogP3 | -15 |
| Hydrogen Bond Donor Count | 21 |
| Hydrogen Bond Acceptor Count | 35 |
| Rotatable Bond Count | 7 |
| Exact Mass | 1134.3697639 |
| Monoisotopic Mass | 1134.3697639 |
| Topological Polar Surface Area | 554 Ų |
| Heavy Atom Count | 77 |
| Formal Charge | 0 |
| Complexity | 1480 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 35 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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