TL;DR: 1,3-Oxathiolane-2-methanol, 5-(2-amino-6-chloro-9H-purin-9-yl)-, (2R-cis)- (CAS 145913-81-1) is a chemical compound with molecular formula C9H10ClN5O2S and molecular weight 287.02438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,5S)-5-(2-amino-6-chloropurin-9-yl)-1,3-oxathiolan-2-yl]methanol
Also Known As: Oxathiolan, 2NH6ClPur(+)alpha, 1,3-Oxathiolane-2-methanol, 5-(2-amino-6-chloro-9H-purin-9-yl)-, (2R-cis)-, (-)-(2R,5S)-2-Amino-6-chloro-9-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)purine, [(2R,5S)-5-(2-Amino-6-chloro-9H-purin-9-yl)-1,3-oxathiolan-2-yl]methanol, [(2R,5S)-5-(2-amino-6-chloro-purin-9-yl)-1,3-oxathiolan-2-yl]methanol
| Molecular Formula | C9H10ClN5O2S |
| Molecular Weight | 287.02438 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.02438 Da |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
| SMILES | C1[C@H](O[C@H](S1)CO)N2C=NC3=C2N=C(N=C3Cl)N |
| InChIKey | ZQYFBYPPSPKXNN-CRCLSJGQSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxathiolane-2-methanol, 5-(2-amino-6-chloro-9H-purin-9-yl)-, (2R-cis)-. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Oxathiolane-2-methanol, 5-(2-amino-6-chloro-9H-purin-9-yl)-, (2R-cis)-. Following Lipinski's Rule of Five, 1,3-Oxathiolane-2-methanol, 5-(2-amino-6-chloro-9H-purin-9-yl)-, (2R-cis)- has 2 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 1,3-Oxathiolane-2-methanol, 5-(2-amino-6-chloro-9H-purin-9-yl)-, (2R-cis)- is 145913-81-1.
The molecular formula of 1,3-Oxathiolane-2-methanol, 5-(2-amino-6-chloro-9H-purin-9-yl)-, (2R-cis)- is C9H10ClN5O2S.
The molecular weight of 1,3-Oxathiolane-2-methanol, 5-(2-amino-6-chloro-9H-purin-9-yl)-, (2R-cis)- is 287.02438 g/mol.
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