DiNa-5'-O-Phosphonomethyl-3'-F-dT
TL;DR: DiNa-5'-O-Phosphonomethyl-3'-F-dT (CAS 129151-64-0) is a chemical compound with molecular formula C11H16FN2O7P and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethylphosphonic acid
Also Known As: DiNa-5'-O-Phosphonomethyl-3'-F-dT, 3'-Deoxy-3'-fluoro-5'-O-(phosphonomethyl)thymidine, 5'-O-(Phosphonomethyl)-3'-deoxy-3'-fluorothymidine, [(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxymethylphosphonic acid, Thymidine, 3'-deoxy-3'-fluoro-5'-O-(phosphonomethyl)-, disodium salt
| Molecular Formula | C11H16FN2O7P |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.0679 |
| Heavy Atoms | 22 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 129151-64-0 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCP(=O)(O)O)F |
| InChIKey | HQVRLAUZOITBHR-DJLDLDEBSA-N |
Product Overview
DiNa-5'-O-Phosphonomethyl-3'-F-dT (CAS 129151-64-0), with molecular formula C11H16FN2O7P and molecular weight 338.07 g/mol. IUPAC: [(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethylphosphonic acid.
Chemical Property Profile of DiNa-5'-O-Phosphonomethyl-3'-F-dT
Property Insights of DiNa-5'-O-Phosphonomethyl-3'-F-dT
The XLogP value of -1.5 indicates that DiNa-5'-O-Phosphonomethyl-3'-F-dT is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DiNa-5'-O-Phosphonomethyl-3'-F-dT. Following Lipinski's Rule of Five, DiNa-5'-O-Phosphonomethyl-3'-F-dT has 3 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 DiNa-5'-O-Phosphonomethyl-3'-F-dT?
The CAS number of DiNa-5'-O-Phosphonomethyl-3'-F-dT is 129151-64-0.
What is the molecular formula of DiNa-5'-O-Phosphonomethyl-3'-F-dT?
The molecular formula of DiNa-5'-O-Phosphonomethyl-3'-F-dT is C11H16FN2O7P.
What is the molecular weight of DiNa-5'-O-Phosphonomethyl-3'-F-dT?
The molecular weight of DiNa-5'-O-Phosphonomethyl-3'-F-dT is 338.07 g/mol.
Where can I buy DiNa-5'-O-Phosphonomethyl-3'-F-dT?
You can request a quote for DiNa-5'-O-Phosphonomethyl-3'-F-dT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DiNa-5'-O-Phosphonomethyl-3'-F-dT?
Yes, KEHONG BIO provides custom synthesis services for DiNa-5'-O-Phosphonomethyl-3'-F-dT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.