TL;DR: 1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione (CAS 149819-44-3) is a chemical compound with molecular formula C8H10N2O4S and molecular weight 230.03613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Also Known As: SddU, OxathiolanU-(+)-beta, OxathiolanU-(+).b., Lamivudine Impurity 43, 1,3-oxathiolane deriv.
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H10N2O4S |
| Molecular Weight | 230.03613 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.03613 Da |
| Heavy Atoms | 15 |
| Complexity | 320.0 |
| SMILES | C1[C@@H](O[C@@H](S1)CO)N2C=CC(=O)NC2=O |
| InChIKey | BNVOMPQTQUUYHU-RQJHMYQMSA-N |
The XLogP value of -0.6 indicates that 1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione is 149819-44-3.
The molecular formula of 1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione is C8H10N2O4S.
The molecular weight of 1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione is 230.03613 g/mol.
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