beta-Cyclodextrin tetradecasulfate
TL;DR: beta-Cyclodextrin tetradecasulfate (CAS 121369-51-5) is a chemical compound with molecular formula C42H70O77S14 and molecular weight 2253.7651 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,21S,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-42-hydroxy-5,10,15,25,30,35-hexakis(hydroxymethyl)-36,37,38,39,40,41,44,45,46,47,48,49-dodecasulfooxy-20-(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-43-yl] hydrogen sulfate
Also Known As: CTDS, beta-Cyclodextrin tetradecasulfate, beta-Cyclodextrin, tetradecakis(hydrogen sulfate), [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21S,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-42-Hydroxy-5,10,15,25,30,35-hexakis(hydroxymethyl)-36,37,38,39,40,41,44,45,46,47,48,49-dodecasulfooxy-20-(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-43-yl] hydrogen sulfate
Technical Specifications
| Molecular Formula | C42H70O77S14 |
| Molecular Weight | 2253.7651 g/mol |
| XLogP | -20.4 |
| Topological Polar Surface Area (TPSA) | 1280.0 Ų |
| Hydrogen Bond Donors | 21 |
| Hydrogen Bond Acceptors | 77 |
| Rotatable Bonds | 35 |
| Exact Mass | 2253.7651 Da |
| Heavy Atoms | 133 |
| Complexity | 5650.0 |
| 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]8O)OS(=O)(=O)O)COS(=O)(=O)O)CO)CO)CO)CO)CO)OS(=O)(=O)O)OS(=O)(=O)O)O |
| InChIKey | AMHIJMKZPBMCKI-PKLGAXGESA-N |
Chemical Property Profile of beta-Cyclodextrin tetradecasulfate
Property Insights of beta-Cyclodextrin tetradecasulfate
The XLogP value of -20.4 indicates that beta-Cyclodextrin tetradecasulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 1280.0 Ų indicates high polarity, suggesting beta-Cyclodextrin tetradecasulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Cyclodextrin tetradecasulfate has 21 hydrogen bond donor(s) and 77 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of beta-Cyclodextrin tetradecasulfate?
The CAS number of beta-Cyclodextrin tetradecasulfate is 121369-51-5.
What is the molecular formula of beta-Cyclodextrin tetradecasulfate?
The molecular formula of beta-Cyclodextrin tetradecasulfate is C42H70O77S14.
What is the molecular weight of beta-Cyclodextrin tetradecasulfate?
The molecular weight of beta-Cyclodextrin tetradecasulfate is 2253.7651 g/mol.
Where can I buy beta-Cyclodextrin tetradecasulfate?
You can request a quote for beta-Cyclodextrin tetradecasulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-Cyclodextrin tetradecasulfate?
Yes, CoreyChem provides custom synthesis services for beta-Cyclodextrin tetradecasulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.