HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(2-Methoxy-3-trityloxypropyl)pyrimidine-2,4-dione
Identifiers & Physical Properties
| Molecular formula | C27H26N2O4 |
|---|---|
| Average molar mass | 442.5 g/mol |
| Monoisotopic mass | 442.18925731 g/mol |
| SMILES | COC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O |
| InChIKey | ZMMWEKVIOBTAMJ-UHFFFAOYSA-N |
| PubChem CID | 19829300 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 67.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 9 |
| Heavy atoms | 33 |
| Formal charge | 0 |
| Complexity | 630 |