5-Fluoro-3'-deoxyuridine-5'-triphosphate
TL;DR: 5-Fluoro-3'-deoxyuridine-5'-triphosphate (CAS 99909-03-2) is a chemical compound with molecular formula C9H14FN2O14P3 and molecular weight 485.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 5-Fluoro-3'-deoxyuridine-5'-triphosphate, 5-Fluoro-3 -deoxyuridine 5 -triphosphoric acid, uridine 5'-(tetrahydrogen triphosphate), 3'-deoxy-5-fluoro-, ({[({[(2S,4R,5R)-5-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid, [[(2S,4R,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
| Molecular Formula | C9H14FN2O14P3 |
|---|---|
| Molecular Weight | 485.96 g/mol |
| LogP | -5.0 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.9642 |
| Heavy Atoms | 29 |
| Complexity | 857.0 |
Chemical Identifiers
| CAS Number | 99909-03-2 |
|---|---|
| SMILES | C1[C@H](O[C@H]([C@@H]1O)N2C=C(C(=O)NC2=O)F)COP(=O)(O)OP(=O)(O)OP(=O)(O)O |
| InChIKey | QMKFPBSXXIHGKY-CVTKMRTPSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Fluoro-3'-deoxyuridine-5'-triphosphate (CAS 99909-03-2), with molecular formula C9H14FN2O14P3 and molecular weight 485.96 g/mol. IUPAC: [[(2S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 5-Fluoro-3'-deoxyuridine-5'-triphosphate
Property Insights of 5-Fluoro-3'-deoxyuridine-5'-triphosphate
The XLogP value of -5.0 indicates that 5-Fluoro-3'-deoxyuridine-5'-triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 239.0 Ų indicates high polarity, suggesting 5-Fluoro-3'-deoxyuridine-5'-triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Fluoro-3'-deoxyuridine-5'-triphosphate has 6 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 5-Fluoro-3'-deoxyuridine-5'-triphosphate?
The CAS number of 5-Fluoro-3'-deoxyuridine-5'-triphosphate is 99909-03-2.
What is the molecular formula of 5-Fluoro-3'-deoxyuridine-5'-triphosphate?
The molecular formula of 5-Fluoro-3'-deoxyuridine-5'-triphosphate is C9H14FN2O14P3.
What is the molecular weight of 5-Fluoro-3'-deoxyuridine-5'-triphosphate?
The molecular weight of 5-Fluoro-3'-deoxyuridine-5'-triphosphate is 485.96 g/mol.
Where can I buy 5-Fluoro-3'-deoxyuridine-5'-triphosphate?
You can request a quote for 5-Fluoro-3'-deoxyuridine-5'-triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoro-3'-deoxyuridine-5'-triphosphate?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-3'-deoxyuridine-5'-triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.