alpha-Cyclodextrin, hexakis(hydrogen sulfate)
TL;DR: alpha-Cyclodextrin, hexakis(hydrogen sulfate) (CAS 135514-70-4) is a chemical compound with molecular formula C36H72O54S6 and molecular weight 1560.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
Also Known As: alpha-Cyclohexadextrin hexasulfate, alpha-Cyclodextrin, hexakis(hydrogen sulfate), a.-C6(D)-6(SO2OH), .alpha.- Cyclohexadextrin hexasulfate, .alpha.-Cyclodextrin, hexakis(hydrogen sulfate)
| Molecular Formula | C36H72O54S6 |
|---|---|
| Molecular Weight | 1560.12 g/mol |
| LogP | -16.9716 |
| Topological Polar Surface Area | 973.0 Ų |
| Hydrogen Bond Donors | 30 |
| Hydrogen Bond Acceptors | 54 |
| Rotatable Bonds | 6 |
| Exact Mass | 1560.1212 |
| Heavy Atoms | 96 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 135514-70-4 |
|---|---|
| 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]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O |
| InChIKey | FFWHUKVWDBRDGO-WWKXUIADSA-N |
Product Overview
alpha-Cyclodextrin, hexakis(hydrogen sulfate) (CAS 135514-70-4), with molecular formula C36H72O54S6 and molecular weight 1560.12 g/mol. 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.
Chemical Property Profile of alpha-Cyclodextrin, hexakis(hydrogen sulfate)
Property Insights of alpha-Cyclodextrin, hexakis(hydrogen sulfate)
The XLogP value of -16.9716 indicates that alpha-Cyclodextrin, hexakis(hydrogen sulfate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 973.0 Ų indicates high polarity, suggesting alpha-Cyclodextrin, hexakis(hydrogen sulfate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-Cyclodextrin, hexakis(hydrogen sulfate) has 30 hydrogen bond donor(s) and 54 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-Cyclodextrin, hexakis(hydrogen sulfate)?
The CAS number of alpha-Cyclodextrin, hexakis(hydrogen sulfate) is 135514-70-4.
What is the molecular formula of alpha-Cyclodextrin, hexakis(hydrogen sulfate)?
The molecular formula of alpha-Cyclodextrin, hexakis(hydrogen sulfate) is C36H72O54S6.
What is the molecular weight of alpha-Cyclodextrin, hexakis(hydrogen sulfate)?
The molecular weight of alpha-Cyclodextrin, hexakis(hydrogen sulfate) is 1560.12 g/mol.
Where can I buy alpha-Cyclodextrin, hexakis(hydrogen sulfate)?
You can request a quote for alpha-Cyclodextrin, hexakis(hydrogen sulfate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Cyclodextrin, hexakis(hydrogen sulfate)?
Yes, KEHONG BIO provides custom synthesis services for alpha-Cyclodextrin, hexakis(hydrogen sulfate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.