TL;DR: 5-Bromo-utp (CAS 161848-60-8) is a chemical compound with molecular formula C9H14BrN2O15P3 and molecular weight 561.879 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2R,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 5-Bromo-utp, 5-bromouridine triphosphate, 5BrUTP, 5-Br-Utp, BrUTP
| Molecular Formula | C9H14BrN2O15P3 |
| Molecular Weight | 561.879 g/mol |
| XLogP | -5.2 |
| Topological Polar Surface Area (TPSA) | 259.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 561.879 Da |
| Heavy Atoms | 30 |
| Complexity | 889.0 |
| SMILES | C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)Br |
| InChIKey | IWFHOSULCAJGRM-UAKXSSHOSA-N |
The XLogP value of -5.2 indicates that 5-Bromo-utp is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 259.0 Ų indicates high polarity, suggesting 5-Bromo-utp may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Bromo-utp has 7 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-Bromo-utp is 161848-60-8.
The molecular formula of 5-Bromo-utp is C9H14BrN2O15P3.
The molecular weight of 5-Bromo-utp is 561.879 g/mol.
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