TL;DR: 3'-Keto-2'-deoxyuridine 5'-triphosphate (CAS 117098-38-1) is a chemical compound with molecular formula C9H13N2O14P3 and molecular weight 465.95798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[5-(2,4-dioxopyrimidin-1-yl)-3-oxooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 3-Kdutp, 3'-Keto-2'-deoxyuridine 5'-triphosphate, 3/'-keto-2/'-deoxyuridine 5/'-triphosphate, [[5-(2,4-dioxopyrimidin-1-yl)-3-oxooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, Uridine 5'-(tetrahydrogen triphosphate), 2,3'-dideoxy-3'-oxo-
| Molecular Formula | C9H13N2O14P3 |
| Molecular Weight | 465.95798 g/mol |
| XLogP | -5.2 |
| Topological Polar Surface Area (TPSA) | 236.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.95798 Da |
| Heavy Atoms | 28 |
| Complexity | 849.0 |
| SMILES | C1C(OC(C1=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=O)NC2=O |
| InChIKey | BRVUPLSOIDPVFS-UHFFFAOYSA-N |
The XLogP value of -5.2 indicates that 3'-Keto-2'-deoxyuridine 5'-triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.0 Ų indicates high polarity, suggesting 3'-Keto-2'-deoxyuridine 5'-triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-Keto-2'-deoxyuridine 5'-triphosphate has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3'-Keto-2'-deoxyuridine 5'-triphosphate is 117098-38-1.
The molecular formula of 3'-Keto-2'-deoxyuridine 5'-triphosphate is C9H13N2O14P3.
The molecular weight of 3'-Keto-2'-deoxyuridine 5'-triphosphate is 465.95798 g/mol.
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