乙酸铥
TL;DR: 乙酸铥 (CAS 39156-80-4) is a chemical compound with molecular formula C10H14F3N2O14P3 and molecular weight 535.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸铥
[[(2R,3S,5R)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Sid 742027, 5-Trifluoromethyl-2'-deoxyuridine 5'-triphosphate, Trifluridine triphosphate, Trifluridine TP, 5-trifluoromethyl-2'-deoxyuridine5'-triphosphate, alpha,alpha,alpha-trifluorothymidine triphosphate
| Molecular Formula | C10H14F3N2O14P3 |
|---|---|
| Molecular Weight | 535.96 g/mol |
| LogP | -4.3 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.961 |
| Heavy Atoms | 32 |
| Complexity | 949.0 |
Chemical Identifiers
| CAS Number | 39156-80-4 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | VSXILDJQEIBHQR-RRKCRQDMSA-N |
Product Overview
乙酸铥 (CAS 39156-80-4), with molecular formula C10H14F3N2O14P3 and molecular weight 535.96 g/mol. IUPAC: [[(2R,3S,5R)-5-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 乙酸铥
Property Insights of 乙酸铥
The XLogP value of -4.3 indicates that 乙酸铥 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 239.0 Ų indicates high polarity, suggesting 乙酸铥 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 乙酸铥 has 6 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 乙酸铥?
The CAS number of 乙酸铥 is 39156-80-4.
What is the molecular formula of 乙酸铥?
The molecular formula of 乙酸铥 is C10H14F3N2O14P3.
What is the molecular weight of 乙酸铥?
The molecular weight of 乙酸铥 is 535.96 g/mol.
Where can I buy 乙酸铥?
You can request a quote for 乙酸铥 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸铥?
Yes, KEHONG BIO provides custom synthesis services for 乙酸铥 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.