1-Thio-beta-D-glucose pentaacetate
TL;DR: 1-Thio-beta-D-glucose pentaacetate (CAS 13639-50-4) is a chemical compound with molecular formula C16H22O10S and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-acetylsulfanyloxan-2-yl]methyl acetate
Also Known As: 1-Thio-beta-D-glucose pentaacetate, 1-thio-, A-D-glucose pentaacetate, 1-Thio-beta-D-glucopyranose pentaacetate, (2R,3R,4S,5R,6S)-2-(Acetoxymethyl)-6-(acetylthio)tetrahydro-2H-pyran-3,4,5-triyl triacetate
| Molecular Formula | C16H22O10S |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 406.09335 |
| Heavy Atoms | 27 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 13639-50-4 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | CFAJEDWNNGFOQV-LJIZCISZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Thio-beta-D-glucose pentaacetate (CAS 13639-50-4), with molecular formula C16H22O10S and molecular weight 406.09 g/mol. IUPAC: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-acetylsulfanyloxan-2-yl]methyl acetate.
Chemical Property Profile of 1-Thio-beta-D-glucose pentaacetate
Property Insights of 1-Thio-beta-D-glucose pentaacetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Thio-beta-D-glucose pentaacetate. The TPSA of 157.0 Ų indicates high polarity, suggesting 1-Thio-beta-D-glucose pentaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Thio-beta-D-glucose pentaacetate has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Thio-beta-D-glucose pentaacetate?
The CAS number of 1-Thio-beta-D-glucose pentaacetate is 13639-50-4.
What is the molecular formula of 1-Thio-beta-D-glucose pentaacetate?
The molecular formula of 1-Thio-beta-D-glucose pentaacetate is C16H22O10S.
What is the molecular weight of 1-Thio-beta-D-glucose pentaacetate?
The molecular weight of 1-Thio-beta-D-glucose pentaacetate is 406.09 g/mol.
Where can I buy 1-Thio-beta-D-glucose pentaacetate?
You can request a quote for 1-Thio-beta-D-glucose pentaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Thio-beta-D-glucose pentaacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Thio-beta-D-glucose pentaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.