Cyclodextrin, hydrogen sulfate (9CI)
TL;DR: Cyclodextrin, hydrogen sulfate (9CI) (CAS 134195-17-8) is a chemical compound with molecular formula C42H70O98S21 and molecular weight 2813.463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecasulfooxy-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: Betadex, Cycloheptaamylose, Cyclodextrin sulfate, beta-CYCLODEXTRIN, Cyclodextrin, hydrogen sulfate (9CI)
Technical Specifications
| Molecular Formula | C42H70O98S21 |
| Molecular Weight | 2813.463 g/mol |
| XLogP | -23.1 |
| Topological Polar Surface Area (TPSA) | 1640.0 Ų |
| Hydrogen Bond Donors | 21 |
| Hydrogen Bond Acceptors | 98 |
| Rotatable Bonds | 49 |
| Exact Mass | 2813.463 Da |
| Heavy Atoms | 161 |
| Complexity | 6430.0 |
| SMILES | C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4OS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6OS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7OS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8OS(=O)(=O)O)OS(=O)(=O)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)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O |
| InChIKey | MLBMCAGVSIMKNT-FWYGNWHCSA-N |
Chemical Property Profile of Cyclodextrin, hydrogen sulfate (9CI)
Property Insights of Cyclodextrin, hydrogen sulfate (9CI)
The XLogP value of -23.1 indicates that Cyclodextrin, hydrogen sulfate (9CI) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 1640.0 Ų indicates high polarity, suggesting Cyclodextrin, hydrogen sulfate (9CI) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclodextrin, hydrogen sulfate (9CI) has 21 hydrogen bond donor(s) and 98 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cyclodextrin, hydrogen sulfate (9CI)?
The CAS number of Cyclodextrin, hydrogen sulfate (9CI) is 134195-17-8.
What is the molecular formula of Cyclodextrin, hydrogen sulfate (9CI)?
The molecular formula of Cyclodextrin, hydrogen sulfate (9CI) is C42H70O98S21.
What is the molecular weight of Cyclodextrin, hydrogen sulfate (9CI)?
The molecular weight of Cyclodextrin, hydrogen sulfate (9CI) is 2813.463 g/mol.
Where can I buy Cyclodextrin, hydrogen sulfate (9CI)?
You can request a quote for Cyclodextrin, hydrogen sulfate (9CI) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclodextrin, hydrogen sulfate (9CI)?
Yes, CoreyChem provides custom synthesis services for Cyclodextrin, hydrogen sulfate (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.