Alfadexum
(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R)-5,10,15,20,25,30-hexakis(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]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol
Also Known As: Alfadexum, Alfadex, Cyclohexaamylose, Cyclomaltohexose, alpha-Dextrin, Cyclomaltohexaose, Cyclohexapentylose, alpha-CYCLODEXTRIN, alpha-Cycloamylose, alpha.-Cyclodextrin, Alfadex [INN], .alpha.-Cyclodextrin, Dextrin, alpha-cyclo, Alfadexum [INN-Latin], alpha-Schardinger dextrin
| Molecular Formula | C36H60O30 |
|---|---|
| Molecular Weight | 972.31696 g/mol |
| LogP | -13.05 |
| Topological Polar Surface Area | 474.9 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 6 |
| Exact Mass | 972.31696 |
| Heavy Atoms | 66 |
| Complexity | 1233 |
Chemical Identifiers
| CAS Number | 10016-20-3 |
|---|---|
| SMILES | C(C1[C@@H]2C(C([C@H](O1)O[C@@H]3C(O[C@@H](C(C3O)O)O[C@@H]4C(O[C@@H](C(C4O)O)O[C@@H]5C(O[C@@H](C(C5O)O)O[C@@H]6C(O[C@@H](C(C6O)O)O[C@@H]7C(O[C@H](O2)C(C7O)O)CO)CO)CO)CO)CO)O)O)O |
Product Overview
Alfadexum (CAS 10016-20-3), with molecular formula C36H60O30 and molecular weight 972.31696 g/mol. IUPAC: (1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R)-5,10,15,20,25,30-hexakis(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]dotetracontane-31,32,33,34,35,36,37,38,39,40,41,42-dodecol.
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