5-氟脱氧尿苷一磷酸
TL;DR: 5-氟脱氧尿苷一磷酸 (CAS 134-46-3) is a chemical compound with molecular formula C9H12FN2O8P and molecular weight 326.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氟脱氧尿苷一磷酸
[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: FdUMP, 5-Fluoro-dUMP, 5-fluorodeoxyuridine monophosphate, 5FdUMP, F-dUMP
| Molecular Formula | C9H12FN2O8P |
|---|---|
| Molecular Weight | 326.03 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.03152 |
| Heavy Atoms | 21 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 134-46-3 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O |
| InChIKey | HFEKDTCAMMOLQP-RRKCRQDMSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氟脱氧尿苷一磷酸 (CAS 134-46-3), with molecular formula C9H12FN2O8P and molecular weight 326.03 g/mol. IUPAC: [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 5-氟脱氧尿苷一磷酸
Property Insights of 5-氟脱氧尿苷一磷酸
The XLogP value of -2.8 indicates that 5-氟脱氧尿苷一磷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting 5-氟脱氧尿苷一磷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-氟脱氧尿苷一磷酸 has 4 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-氟脱氧尿苷一磷酸?
The CAS number of 5-氟脱氧尿苷一磷酸 is 134-46-3.
What is the molecular formula of 5-氟脱氧尿苷一磷酸?
The molecular formula of 5-氟脱氧尿苷一磷酸 is C9H12FN2O8P.
What is the molecular weight of 5-氟脱氧尿苷一磷酸?
The molecular weight of 5-氟脱氧尿苷一磷酸 is 326.03 g/mol.
Where can I buy 5-氟脱氧尿苷一磷酸?
You can request a quote for 5-氟脱氧尿苷一磷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氟脱氧尿苷一磷酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氟脱氧尿苷一磷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.