TL;DR: 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2R-cis)- (CAS 145913-80-0) is a chemical compound with molecular formula C9H10FN5O2S and molecular weight 271.05392 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,5S)-5-(6-amino-2-fluoropurin-9-yl)-1,3-oxathiolan-2-yl]methanol
Also Known As: Oxathiolan 2FPur-beta, Oxathiolan 2FPur-.a., Oxathiolan 2FPur-.b., 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2R-cis)-, (+)-(2R,5S)-2-Fluoro-6-amino-9-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)purine
| Molecular Formula | C9H10FN5O2S |
| Molecular Weight | 271.05392 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.05392 Da |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
| SMILES | C1[C@H](O[C@H](S1)CO)N2C=NC3=C(N=C(N=C32)F)N |
| InChIKey | FHYHYXRPVWILHN-CRCLSJGQSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-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-(6-amino-2-fluoro-9H-purin-9-yl)-, (2R-cis)-. Following Lipinski's Rule of Five, 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2R-cis)- has 2 hydrogen bond donor(s) and 8 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-(6-amino-2-fluoro-9H-purin-9-yl)-, (2R-cis)- is 145913-80-0.
The molecular formula of 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2R-cis)- is C9H10FN5O2S.
The molecular weight of 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2R-cis)- is 271.05392 g/mol.
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