1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate
TL;DR: 1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate (CAS 76843-55-5) is a chemical compound with molecular formula C46H85AsO9S and molecular weight 888.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,5-triacetyloxy-6-dihexadecylarsanylsulfanyloxan-2-yl)methyl acetate
Also Known As: 1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate, 1-THIO-.BETA.-D-GLUCOPYRANOSE,3,4,6-TETRAACETATE, 2,3,4,6-Tetra-O-acetyl-1-S-(dihexadecylarsanyl)-1-thiohexopyranose, (3,4,5-triacetyloxy-6-dihexadecylarsanylsulfanyloxan-2-yl)methyl acetate, .beta.-D-Glucopyranose, 2,3,4,6-tetraacetate 1-(dihexadecylarsinite)-
| Molecular Formula | C46H85AsO9S |
|---|---|
| Molecular Weight | 888.51 g/mol |
| LogP | 12.7568 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 41 |
| Exact Mass | 888.513 |
| Heavy Atoms | 57 |
| Complexity | 998.0 |
Chemical Identifiers
| CAS Number | 76843-55-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[As](CCCCCCCCCCCCCCCC)SC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | GJJKXAAETFJLDX-UHFFFAOYSA-N |
Product Overview
1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate (CAS 76843-55-5), with molecular formula C46H85AsO9S and molecular weight 888.51 g/mol. IUPAC: (3,4,5-triacetyloxy-6-dihexadecylarsanylsulfanyloxan-2-yl)methyl acetate.
Chemical Property Profile of 1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate
Property Insights of 1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate
The XLogP value of 12.7568 indicates that 1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting 1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate has 0 hydrogen bond donor(s) and 10 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-glucopyranose,3,4,6-tetraacetate?
The CAS number of 1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate is 76843-55-5.
What is the molecular formula of 1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate?
The molecular formula of 1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate is C46H85AsO9S.
What is the molecular weight of 1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate?
The molecular weight of 1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate is 888.51 g/mol.
Where can I buy 1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate?
You can request a quote for 1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate 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-glucopyranose,3,4,6-tetraacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Thio-beta-D-glucopyranose,3,4,6-tetraacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.