2'-Deoxy-5-fluorouridylic acid phosphonate
TL;DR: 2'-Deoxy-5-fluorouridylic acid phosphonate (CAS 8058-55-7) is a chemical compound with molecular formula C10H12BaFN2O7P and molecular weight 459.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);5-fluoro-1-[4-hydroxy-5-(2-phosphonatoethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 2'-Deoxy-5-fluorouridylic acid phosphonate, sodium,1,2-dihydronaphthalen-2-ide,oxolane, 1,4-Naphthalenedione,2-chloro-6-methoxy-8-methyl, barium(2+);5-fluoro-1-[4-hydroxy-5-(2-phosphonatoethyl)oxolan-2-yl]pyrimidine-2,4-dione, barium(2+); 5-fluoro-1-[4-hydroxy-5-(2-phosphonatoethyl)oxolan-2-yl]pyrimidine-2,4-dione
| Molecular Formula | C10H12BaFN2O7P |
|---|---|
| Molecular Weight | 459.94 g/mol |
| LogP | -2.7529 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.94186 |
| Heavy Atoms | 22 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 8058-55-7 |
|---|---|
| SMILES | C1C(C(OC1N2C=C(C(=O)NC2=O)F)CCP(=O)([O-])[O-])O.[Ba+2] |
| InChIKey | OQAJMHJIFGHRNS-UHFFFAOYSA-L |
Product Overview
2'-Deoxy-5-fluorouridylic acid phosphonate (CAS 8058-55-7), with molecular formula C10H12BaFN2O7P and molecular weight 459.94 g/mol. IUPAC: barium(2+);5-fluoro-1-[4-hydroxy-5-(2-phosphonatoethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 2'-Deoxy-5-fluorouridylic acid phosphonate
Property Insights of 2'-Deoxy-5-fluorouridylic acid phosphonate
The XLogP value of -2.7529 indicates that 2'-Deoxy-5-fluorouridylic acid phosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.0 Ų indicates high polarity, suggesting 2'-Deoxy-5-fluorouridylic acid phosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Deoxy-5-fluorouridylic acid phosphonate has 2 hydrogen bond donor(s) and 8 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 2'-Deoxy-5-fluorouridylic acid phosphonate?
The CAS number of 2'-Deoxy-5-fluorouridylic acid phosphonate is 8058-55-7.
What is the molecular formula of 2'-Deoxy-5-fluorouridylic acid phosphonate?
The molecular formula of 2'-Deoxy-5-fluorouridylic acid phosphonate is C10H12BaFN2O7P.
What is the molecular weight of 2'-Deoxy-5-fluorouridylic acid phosphonate?
The molecular weight of 2'-Deoxy-5-fluorouridylic acid phosphonate is 459.94 g/mol.
Where can I buy 2'-Deoxy-5-fluorouridylic acid phosphonate?
You can request a quote for 2'-Deoxy-5-fluorouridylic acid phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-5-fluorouridylic acid phosphonate?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-5-fluorouridylic acid phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.