5'-O-Triphosphomethyl-3-FdT
TL;DR: 5'-O-Triphosphomethyl-3-FdT (CAS 129151-76-4) is a chemical compound with molecular formula C11H18FN2O13P3 and molecular weight 498.00 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]methoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
Also Known As: 5'-O-Triphosphomethyl-3-FdT, 5'-O-(Triphosphomethyl)-3'-deoxy-3'-fluorothymidine, Thymidine, 3'-deoxy-3'-fluoro-5'-O-(2,4,6,6-tetrahydroxy-2,4,6-trioxido-3,5-dioxa-2,4,6-triphosphahex-1-yl)-, [(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid, [(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
| Molecular Formula | C11H18FN2O13P3 |
|---|---|
| Molecular Weight | 498.00 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.00058 |
| Heavy Atoms | 30 |
| Complexity | 874.0 |
Chemical Identifiers
| CAS Number | 129151-76-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCP(=O)(O)OP(=O)(O)OP(=O)(O)O)F |
| InChIKey | ZYJUSNQMBUQVGJ-DJLDLDEBSA-N |
Product Overview
5'-O-Triphosphomethyl-3-FdT (CAS 129151-76-4), with molecular formula C11H18FN2O13P3 and molecular weight 498.00 g/mol. IUPAC: [(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid.
Chemical Property Profile of 5'-O-Triphosphomethyl-3-FdT
Property Insights of 5'-O-Triphosphomethyl-3-FdT
The XLogP value of -3.7 indicates that 5'-O-Triphosphomethyl-3-FdT is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 218.0 Ų indicates high polarity, suggesting 5'-O-Triphosphomethyl-3-FdT may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-O-Triphosphomethyl-3-FdT has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5'-O-Triphosphomethyl-3-FdT?
The CAS number of 5'-O-Triphosphomethyl-3-FdT is 129151-76-4.
What is the molecular formula of 5'-O-Triphosphomethyl-3-FdT?
The molecular formula of 5'-O-Triphosphomethyl-3-FdT is C11H18FN2O13P3.
What is the molecular weight of 5'-O-Triphosphomethyl-3-FdT?
The molecular weight of 5'-O-Triphosphomethyl-3-FdT is 498.00 g/mol.
Where can I buy 5'-O-Triphosphomethyl-3-FdT?
You can request a quote for 5'-O-Triphosphomethyl-3-FdT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-O-Triphosphomethyl-3-FdT?
Yes, KEHONG BIO provides custom synthesis services for 5'-O-Triphosphomethyl-3-FdT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.