5-Fluorocytidine 5'-(dihydrogen phosphate)
TL;DR: 5-Fluorocytidine 5'-(dihydrogen phosphate) (CAS 5466-86-4) is a chemical compound with molecular formula C9H13FN3O8P and molecular weight 341.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: Poly(5-fluorocytidylic acid), 5-fluorocytidine 5'-monophosphate, 5'-?Cytidylicacid,5-?fluoro-, 5-Fluoro-5 -cytidylic acid, 5-fluorocytidine 5'-(dihydrogen phosphate)
| Molecular Formula | C9H13FN3O8P |
|---|---|
| Molecular Weight | 341.04 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.04242 |
| Heavy Atoms | 22 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 5466-86-4 |
|---|---|
| SMILES | C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)F |
| InChIKey | VLZKLBLFWAHHJM-UAKXSSHOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Fluorocytidine 5'-(dihydrogen phosphate) (CAS 5466-86-4), with molecular formula C9H13FN3O8P and molecular weight 341.04 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 5-Fluorocytidine 5'-(dihydrogen phosphate)
Property Insights of 5-Fluorocytidine 5'-(dihydrogen phosphate)
The XLogP value of -3.7 indicates that 5-Fluorocytidine 5'-(dihydrogen phosphate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting 5-Fluorocytidine 5'-(dihydrogen phosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Fluorocytidine 5'-(dihydrogen phosphate) has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Fluorocytidine 5'-(dihydrogen phosphate)?
The CAS number of 5-Fluorocytidine 5'-(dihydrogen phosphate) is 5466-86-4.
What is the molecular formula of 5-Fluorocytidine 5'-(dihydrogen phosphate)?
The molecular formula of 5-Fluorocytidine 5'-(dihydrogen phosphate) is C9H13FN3O8P.
What is the molecular weight of 5-Fluorocytidine 5'-(dihydrogen phosphate)?
The molecular weight of 5-Fluorocytidine 5'-(dihydrogen phosphate) is 341.04 g/mol.
Where can I buy 5-Fluorocytidine 5'-(dihydrogen phosphate)?
You can request a quote for 5-Fluorocytidine 5'-(dihydrogen phosphate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluorocytidine 5'-(dihydrogen phosphate)?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluorocytidine 5'-(dihydrogen phosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.