TL;DR: [(2S,5R)-5-(6-amino-2-chloro-purin-9-yl)tetrahydrothiophen-2-yl]methanol (CAS 137719-29-0) is a chemical compound with molecular formula C10H12ClN5OS and molecular weight 285.0451 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,5R)-5-(6-amino-2-chloropurin-9-yl)thiolan-2-yl]methanol
Also Known As: 4-Thionucleoside analog, 2-chloro-2',3'-dideoxy-4'-thioadenosine, 2-Chloro-2',3'-dideoxy-4'-thio-Adenosine, [(2S,5R)-5-(6-amino-2-chloropurin-9-yl)thiolan-2-yl]methanol, [(2S,5R)-5-(6-amino-2-chloro-purin-9-yl)tetrahydrothiophen-2-yl]methanol
| Molecular Formula | C10H12ClN5OS |
| Molecular Weight | 285.0451 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.0451 Da |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
| SMILES | C1C[C@@H](S[C@@H]1CO)N2C=NC3=C(N=C(N=C32)Cl)N |
| InChIKey | FKKJDKODGQMPPN-NTSWFWBYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2S,5R)-5-(6-amino-2-chloro-purin-9-yl)tetrahydrothiophen-2-yl]methanol. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2S,5R)-5-(6-amino-2-chloro-purin-9-yl)tetrahydrothiophen-2-yl]methanol. Following Lipinski's Rule of Five, [(2S,5R)-5-(6-amino-2-chloro-purin-9-yl)tetrahydrothiophen-2-yl]methanol 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 [(2S,5R)-5-(6-amino-2-chloro-purin-9-yl)tetrahydrothiophen-2-yl]methanol is 137719-29-0.
The molecular formula of [(2S,5R)-5-(6-amino-2-chloro-purin-9-yl)tetrahydrothiophen-2-yl]methanol is C10H12ClN5OS.
The molecular weight of [(2S,5R)-5-(6-amino-2-chloro-purin-9-yl)tetrahydrothiophen-2-yl]methanol is 285.0451 g/mol.
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