Glunicate
TL;DR: Glunicate (CAS 85259-71-8) is a chemical compound with molecular formula C36H28N6O10 and molecular weight 704.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4R,5R,6S)-5-(pyridine-3-carbonylamino)-3,4,6-tris(pyridine-3-carbonyloxy)oxan-2-yl]methyl pyridine-3-carboxylate
Also Known As: Glunicate, KST-1A8569, (5xi)-2-deoxy-1,3,4,6-tetrakis-o-(pyridin-3-ylcarbonyl)-2-[(pyridin-3-ylcarbonyl)amino]-, A-d-xylo-hexopyranose, (5xi)-2-Deoxy-2-{[hydroxy(pyridin-3-yl)methylidene]amino}-1,3,4,6-tetra-O-(pyridine-3-carbonyl)-beta-D-xylo-hexopyranose
| Molecular Formula | C36H28N6O10 |
|---|---|
| Molecular Weight | 704.19 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Exact Mass | 704.1867 |
| Heavy Atoms | 52 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 85259-71-8 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)N[C@@H]2[C@H]([C@@H](C(O[C@H]2OC(=O)C3=CN=CC=C3)COC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6 |
| InChIKey | ZLNMZWDQJJAEAM-VRELJSORSA-N |
Product Overview
Glunicate (CAS 85259-71-8), with molecular formula C36H28N6O10 and molecular weight 704.19 g/mol. IUPAC: [(3S,4R,5R,6S)-5-(pyridine-3-carbonylamino)-3,4,6-tris(pyridine-3-carbonyloxy)oxan-2-yl]methyl pyridine-3-carboxylate.
Chemical Property Profile of Glunicate
Property Insights of Glunicate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glunicate. The TPSA of 208.0 Ų indicates high polarity, suggesting Glunicate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glunicate has 1 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glunicate?
The CAS number of Glunicate is 85259-71-8.
What is the molecular formula of Glunicate?
The molecular formula of Glunicate is C36H28N6O10.
What is the molecular weight of Glunicate?
The molecular weight of Glunicate is 704.19 g/mol.
Where can I buy Glunicate?
You can request a quote for Glunicate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glunicate?
Yes, KEHONG BIO provides custom synthesis services for Glunicate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.