TL;DR: Thymidine, 3'-deoxy-3'-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]- (CAS 127479-69-0) is a chemical compound with molecular formula C13H17N5O5 and molecular weight 323.12296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[4-(hydroxymethyl)triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: Thymidine, 3'-deoxy-3'-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-, 3'-(4-Hydroxymethyl-1,2,3-triazol-1-yl)-3'-deoxythymidine, 3 -(4-(Hydroxymethyl)-1H-1,2,3-triazol-1-yl)-3 -deoxythymidine, 1-((2R,4S,5S)-5-(hydroxymethyl)-4-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione, 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C13H17N5O5 |
| Molecular Weight | 323.12296 g/mol |
| XLogP | -2.3 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.12296 Da |
| Heavy Atoms | 23 |
| Complexity | 527.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C=C(N=N3)CO |
| InChIKey | NBDUKFFZXZQJHT-HBNTYKKESA-N |
The XLogP value of -2.3 indicates that Thymidine, 3'-deoxy-3'-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 3'-deoxy-3'-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-. Following Lipinski's Rule of Five, Thymidine, 3'-deoxy-3'-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]- has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Thymidine, 3'-deoxy-3'-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]- is 127479-69-0.
The molecular formula of Thymidine, 3'-deoxy-3'-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]- is C13H17N5O5.
The molecular weight of Thymidine, 3'-deoxy-3'-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]- is 323.12296 g/mol.
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