TL;DR: alpha-L-(+)-(2S,4R)-1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)-5-fluorocytosine (CAS 147060-42-2) is a chemical compound with molecular formula C8H10FN3O4 and molecular weight 231.06554 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-5-fluoro-1-[(2S,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Also Known As: alpha-L-5F-3TC, (+)-alpha-Dioxolan-5F-C, .alpha.-L-5F-3TC, (+).a.-Dioxolan-5F-C, alpha-L-Dioxolanyl-5-fluorocytidine
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H10FN3O4 |
| Molecular Weight | 231.06554 g/mol |
| XLogP | -1.9 |
| Topological Polar Surface Area (TPSA) | 97.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.06554 Da |
| Heavy Atoms | 16 |
| Complexity | 370.0 |
| SMILES | C1[C@@H](O[C@H](O1)CO)N2C=C(C(=NC2=O)N)F |
| InChIKey | RJKXXGNCKMQXTH-RITPCOANSA-N |
The XLogP value of -1.9 indicates that alpha-L-(+)-(2S,4R)-1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)-5-fluorocytosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-L-(+)-(2S,4R)-1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)-5-fluorocytosine. Following Lipinski's Rule of Five, alpha-L-(+)-(2S,4R)-1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)-5-fluorocytosine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of alpha-L-(+)-(2S,4R)-1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)-5-fluorocytosine is 147060-42-2.
The molecular formula of alpha-L-(+)-(2S,4R)-1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)-5-fluorocytosine is C8H10FN3O4.
The molecular weight of alpha-L-(+)-(2S,4R)-1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)-5-fluorocytosine is 231.06554 g/mol.
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