AC1N7115
[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(sulfooxymethyl)-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-5-yl]methyl hydrogen sulfate
Also Known As: .beta.-Cyclodextrin, hydrogen sulfate, sodium salt
| Molecular Formula | C42H70O56S7 |
|---|---|
| Molecular Weight | 1694.0675 g/mol |
| LogP | -16.4409 |
| Topological Polar Surface Area | 857.64 Ų |
| Hydrogen Bond Donors | 21 |
| Hydrogen Bond Acceptors | 49 |
| Rotatable Bonds | 21 |
| Exact Mass | 1694.0675 |
| Monoisotopic Mass | 1694.0675 |
| Heavy Atoms | 105 |
| Complexity | 3041.438 |
Chemical Identifiers
| CAS Number | 37191-69-8 |
|---|---|
| SMILES | C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O)O)O)OS(=O)(=O)O |
Product Overview
AC1N7115 (CAS 37191-69-8), with molecular formula C42H70O56S7 and molecular weight 1694.0675 g/mol. IUPAC: [36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(sulfooxymethyl)-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-5-yl]methyl hydrogen sulfate.
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