Thymidine 5'-O-(1-thiotriphosphate)
TL;DR: Thymidine 5'-O-(1-thiotriphosphate) (CAS 83199-35-3) is a chemical compound with molecular formula C10H17N2O13P3S and molecular weight 497.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl] phosphono hydrogen phosphate
Also Known As: Dttp alphas, dTTPalphaS, TTPalphaS, Dttp (alpha S), Sp-TTPalphaS
| Molecular Formula | C10H17N2O13P3S |
|---|---|
| Molecular Weight | 497.97 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 254.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.96643 |
| Heavy Atoms | 29 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 83199-35-3 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | PXHHTOSRELKWOE-MXWQNOQOSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thymidine 5'-O-(1-thiotriphosphate) (CAS 83199-35-3), with molecular formula C10H17N2O13P3S and molecular weight 497.97 g/mol. IUPAC: [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinothioyl] phosphono hydrogen phosphate.
Chemical Property Profile of Thymidine 5'-O-(1-thiotriphosphate)
Property Insights of Thymidine 5'-O-(1-thiotriphosphate)
The XLogP value of -3.3 indicates that Thymidine 5'-O-(1-thiotriphosphate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 254.0 Ų indicates high polarity, suggesting Thymidine 5'-O-(1-thiotriphosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thymidine 5'-O-(1-thiotriphosphate) has 6 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 Thymidine 5'-O-(1-thiotriphosphate)?
The CAS number of Thymidine 5'-O-(1-thiotriphosphate) is 83199-35-3.
What is the molecular formula of Thymidine 5'-O-(1-thiotriphosphate)?
The molecular formula of Thymidine 5'-O-(1-thiotriphosphate) is C10H17N2O13P3S.
What is the molecular weight of Thymidine 5'-O-(1-thiotriphosphate)?
The molecular weight of Thymidine 5'-O-(1-thiotriphosphate) is 497.97 g/mol.
Where can I buy Thymidine 5'-O-(1-thiotriphosphate)?
You can request a quote for Thymidine 5'-O-(1-thiotriphosphate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine 5'-O-(1-thiotriphosphate)?
Yes, KEHONG BIO provides custom synthesis services for Thymidine 5'-O-(1-thiotriphosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.