Diquafosol
TL;DR: Diquafosol (CAS 1402828-42-5) is a chemical compound with molecular formula C18H26N4O23P4 and molecular weight 789.99384 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Also Known As: Diquafosol, UppppU, dicuafosol, Diquafosol sodium, diquafosolum
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H26N4O23P4 |
| Molecular Weight | 789.99384 g/mol |
| XLogP | -9.1 |
| Topological Polar Surface Area (TPSA) | 394.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 14 |
| Exact Mass | 789.99384 Da |
| Heavy Atoms | 49 |
| Complexity | 1490.0 |
| SMILES | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O |
| InChIKey | NMLMACJWHPHKGR-NCOIDOBVSA-N |
Chemical Property Profile of Diquafosol
Property Insights of Diquafosol
The XLogP value of -9.1 indicates that Diquafosol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 394.0 Ų indicates high polarity, suggesting Diquafosol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diquafosol has 10 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Diquafosol?
The CAS number of Diquafosol is 1402828-42-5.
What is the molecular formula of Diquafosol?
The molecular formula of Diquafosol is C18H26N4O23P4.
What is the molecular weight of Diquafosol?
The molecular weight of Diquafosol is 789.99384 g/mol.
Where can I buy Diquafosol?
You can request a quote for Diquafosol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diquafosol?
Yes, CoreyChem provides custom synthesis services for Diquafosol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.