Basic information
- CAS
135514-70-4- Standard SMILES
O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO- InChIKey
FFWHUKVWDBRDGO-WWKXUIADSA-N- Molecular formula
- C36H72O54S6
- Average molar mass
- 1,561.3 g/mol
- Monoisotopic mass
- 1,560.1212188
Names & identifiers
- Preferred name
- alpha-Cyclodextrin, hexakis(hydrogen sulfate)
- IUPAC
- (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31R,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-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;sulfuric acid
Names & synonyms
alpha-Cyclodextrin, hexakis(hydrogen sulfate)alpha-Cyclohexadextrin hexasulfate135514-70-4hexakis(hydroxymethyl)[?]dodecol; sulfuric acid2,4,7,9,12,14,17,19,22,24,27,29-Dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane, a-cyclodextrin deriv.SCHEMBL25413932a.-C6(D)-6(SO2OH).alpha.- Cyclohexadextrin hexasulfate.alpha.-Cyclodextrin, hexakis(hydrogen sulfate)
Database identifiers
- CAS
135514-70-4- PubChem CID
- 453203
Properties
Computed structural properties
- Topological polar surface area
- 973 Ų
- Hydrogen bond donors
- 30
- Hydrogen bond acceptors
- 54
- Rotatable bonds
- 6
- Heavy atoms
- 96
- Formal charge
- 0
- Complexity
- 1,330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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