beta-Cyclodextrin sulfate
TL;DR: beta-Cyclodextrin sulfate (CAS 60565-89-1) is a chemical compound with molecular formula C42H70O98S21 and molecular weight 2813.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[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, .beta.-CDS, B-CDS, .beta.-Cyclodextrin sulfate, Cycloheptaamylose polysulfate
| Molecular Formula | C42H70O98S21 |
|---|---|
| Molecular Weight | 2813.46 g/mol |
| LogP | -23.1 |
| Topological Polar Surface Area | 1640.0 Ų |
| Hydrogen Bond Donors | 21 |
| Hydrogen Bond Acceptors | 98 |
| Rotatable Bonds | 49 |
| Exact Mass | 2813.463 |
| Heavy Atoms | 161 |
| Complexity | 6430.0 |
Chemical Identifiers
| CAS Number | 60565-89-1 |
|---|---|
| SMILES | C(C1C2C(C(C(O1)OC3C(OC(C(C3OS(=O)(=O)O)OS(=O)(=O)O)OC4C(OC(C(C4OS(=O)(=O)O)OS(=O)(=O)O)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O)O)OC6C(OC(C(C6OS(=O)(=O)O)OS(=O)(=O)O)OC7C(OC(C(C7OS(=O)(=O)O)OS(=O)(=O)O)OC8C(OC(O2)C(C8OS(=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-UHFFFAOYSA-N |
Product Overview
beta-Cyclodextrin sulfate (CAS 60565-89-1), with molecular formula C42H70O98S21 and molecular weight 2813.46 g/mol. IUPAC: [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.
Chemical Property Profile of beta-Cyclodextrin sulfate
Property Insights of beta-Cyclodextrin sulfate
The XLogP value of -23.1 indicates that beta-Cyclodextrin sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 1640.0 Ų indicates high polarity, suggesting beta-Cyclodextrin sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Cyclodextrin sulfate has 21 hydrogen bond donor(s) and 98 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Cyclodextrin sulfate?
The CAS number of beta-Cyclodextrin sulfate is 60565-89-1.
What is the molecular formula of beta-Cyclodextrin sulfate?
The molecular formula of beta-Cyclodextrin sulfate is C42H70O98S21.
What is the molecular weight of beta-Cyclodextrin sulfate?
The molecular weight of beta-Cyclodextrin sulfate is 2813.46 g/mol.
Where can I buy beta-Cyclodextrin sulfate?
You can request a quote for beta-Cyclodextrin sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Cyclodextrin sulfate?
Yes, KEHONG BIO provides custom synthesis services for beta-Cyclodextrin sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.