TL;DR: 3'-Azido-2',3'-dideoxy-4-thiouridine (CAS 132739-16-3) is a chemical compound with molecular formula C9H11N5O3S and molecular weight 269.05826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
Also Known As: 3'-N3-4SH-ddU, 3'-Azido-2',3'-dideoxy-4-thiouridine, uridine, 3'-azido-2',3'-dideoxy-4-thio-, 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one, 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-thioxo-pyrimidin-2-one
| Molecular Formula | C9H11N5O3S |
| Molecular Weight | 269.05826 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.05826 Da |
| Heavy Atoms | 18 |
| Complexity | 447.0 |
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=CC(=S)NC2=O)CO)N=[N+]=[N-] |
| InChIKey | IYJOKUIZNLSIAR-SHYZEUOFSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Azido-2',3'-dideoxy-4-thiouridine. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Azido-2',3'-dideoxy-4-thiouridine. Following Lipinski's Rule of Five, 3'-Azido-2',3'-dideoxy-4-thiouridine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3'-Azido-2',3'-dideoxy-4-thiouridine is 132739-16-3.
The molecular formula of 3'-Azido-2',3'-dideoxy-4-thiouridine is C9H11N5O3S.
The molecular weight of 3'-Azido-2',3'-dideoxy-4-thiouridine is 269.05826 g/mol.
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