2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate
TL;DR: 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate (CAS 16154-72-6) is a chemical compound with molecular formula C11H19N2O13P3 and molecular weight 480.01 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl] phosphono hydrogen phosphate
Also Known As: d-Tmpp, 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate, [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl] phosphono hydrogen phosphate, 5'-o-[{[hydroxy(phosphonooxy)phosphoryl]oxy}(methyl)phosphoryl]thymidine, Thymidine, 5'-(hydrogen methylphosphonate), monoanhydride with diphosphoric acid
Technical Specifications
| Molecular Formula | C11H19N2O13P3 |
| Molecular Weight | 480.01 g/mol |
| XLogP | -4.5 |
| Topological Polar Surface Area (TPSA) | 218.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.01 Da |
| Heavy Atoms | 29 |
| Complexity | 853.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(C)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | QQFHAAZWMATUAB-DMCCTYFOSA-N |
Chemical Property Profile of 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate
Property Insights of 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate
The XLogP value of -4.5 indicates that 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 218.0 Ų indicates high polarity, suggesting 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate?
The CAS number of 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate is 16154-72-6.
What is the molecular formula of 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate?
The molecular formula of 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate is C11H19N2O13P3.
What is the molecular weight of 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate?
The molecular weight of 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate is 480.01 g/mol.
Where can I buy 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate?
You can request a quote for 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate?
Yes, CoreyChem provides custom synthesis services for 2'-Deoxythymidine-5'-(alpha-methylphosphonyl)-beta,gamma-diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.