TL;DR: PhEtddUTP (CAS 158358-51-1) is a chemical compound with molecular formula C17H23N2O13P3 and molecular weight 556.0413 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2S,5R)-5-[2,4-dioxo-5-(2-phenylethyl)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: PhEtddUTP, uridine 5'-(tetrahydrogen triphosphate), 2',3'-dideoxy-5-(2-phenylethyl)-, [[(2S,5R)-5-(2,4-dioxo-5-phenethyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate, [[(2S,5R)-5-(2,4-dioxo-5-phenethylpyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, 2,4(1H,3H)-Pyrimidinedione, 5-(2-phenylethyl)-1-[(2R,5S)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-triphosphate
| Molecular Formula | C17H23N2O13P3 |
| Molecular Weight | 556.0413 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 218.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 556.0413 Da |
| Heavy Atoms | 35 |
| Complexity | 976.0 |
| SMILES | C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=O)NC2=O)CCC3=CC=CC=C3 |
| InChIKey | LURNWERXJAIUOX-LSDHHAIUSA-N |
The XLogP value of -2.0 indicates that PhEtddUTP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 218.0 Ų indicates high polarity, suggesting PhEtddUTP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PhEtddUTP has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of PhEtddUTP is 158358-51-1.
The molecular formula of PhEtddUTP is C17H23N2O13P3.
The molecular weight of PhEtddUTP is 556.0413 g/mol.
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