HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(3-O-Benzy-4-hydroxymethyl-beta-D-xylofuranosyl)thymine

Identifiers & Physical Properties
| Molecular formula | C18H22N2O7 |
|---|---|
| Average molar mass | 378.4 g/mol |
| SMILES | Cc1cn([C@@H]2OC(CO)(CO)[C@H](OCc3ccccc3)[C@H]2O)c(=O)[nH]c1=O |
| InChIKey | HXRLMFAWJGDVOP-IIAWOOMASA-N |
| PubChem CID | 10691038 |
Chemical & Physical Properties
| XLogP | -1.3 |
|---|---|
| Topological polar surface area | 129 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 6 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 599 |