TL;DR: Bis(pivaloyloxymethyl) 2',3'dideoxyuridine 5'-monophosphate (CAS 144510-15-6) is a chemical compound with molecular formula C21H33N2O11P and molecular weight 520.1822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2,2-dimethylpropanoyloxymethoxy-[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate
Also Known As: Piv2 ddump, Bis(PivOCH2)ddUMP, (Pom)2-N3UMP, Bis(pivaloyloxymethyl) 2',3'dideoxyuridine 5'-monophosphate, [2,2-dimethylpropanoyloxymethoxy-[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxymethyl 2,2-dimethylpropanoate
| Molecular Formula | C21H33N2O11P |
| Molecular Weight | 520.1822 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 520.1822 Da |
| Heavy Atoms | 35 |
| Complexity | 855.0 |
| SMILES | CC(C)(C)C(=O)OCOP(=O)(OC[C@@H]1CC[C@@H](O1)N2C=CC(=O)NC2=O)OCOC(=O)C(C)(C)C |
| InChIKey | YEEROEUEKAECNF-GOEBONIOSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(pivaloyloxymethyl) 2',3'dideoxyuridine 5'-monophosphate. The TPSA of 156.0 Ų indicates high polarity, suggesting Bis(pivaloyloxymethyl) 2',3'dideoxyuridine 5'-monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(pivaloyloxymethyl) 2',3'dideoxyuridine 5'-monophosphate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bis(pivaloyloxymethyl) 2',3'dideoxyuridine 5'-monophosphate is 144510-15-6.
The molecular formula of Bis(pivaloyloxymethyl) 2',3'dideoxyuridine 5'-monophosphate is C21H33N2O11P.
The molecular weight of Bis(pivaloyloxymethyl) 2',3'dideoxyuridine 5'-monophosphate is 520.1822 g/mol.
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