Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate
TL;DR: Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate (CAS 151165-76-3) is a chemical compound with molecular formula C21H29N4O10PS and molecular weight 560.1342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [2-hydroxy-4-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)cyclopentyl]methyl hydrogen phosphate
Also Known As: TP(Me)sT, Sp-TP(Me)sT, Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate, thymidin-3/'-yl-4-thiothymidin-5/'-yl methylphosphonate, [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [2-hydroxy-4-(5-methyl-2-oxo-4-sulfanylidenepyrimidin-1-yl)cyclopentyl]methyl hydrogen phosphate
Technical Specifications
| Molecular Formula | C21H29N4O10PS |
| Molecular Weight | 560.1342 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 219.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 560.1342 Da |
| Heavy Atoms | 37 |
| Complexity | 1100.0 |
| SMILES | CC1=CN(C(=O)NC1=S)C2CC(C(C2)O)COP(=O)(O)OC3CC(OC3CO)N4C=C(C(=O)NC4=O)C |
| InChIKey | KBKGEUPEIIRUSQ-UHFFFAOYSA-N |
Chemical Property Profile of Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate
Property Insights of Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate
The XLogP value of -1.9 indicates that Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate?
The CAS number of Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate is 151165-76-3.
What is the molecular formula of Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate?
The molecular formula of Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate is C21H29N4O10PS.
What is the molecular weight of Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate?
The molecular weight of Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate is 560.1342 g/mol.
Where can I buy Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate?
You can request a quote for Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate?
Yes, CoreyChem provides custom synthesis services for Thymidin-3'-yl-4-thiothymidin-5'-yl methylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.