TL;DR: 2-(Hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol (CAS 15397-51-0) is a chemical compound with molecular formula C11H14N4O4S and molecular weight 298.07358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol
Also Known As: 6-Methylthioinosine, METHYLTHIOINOSINE, 6-Methylmercaptopurine riboside, MMPR, Me6MPR
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H14N4O4S |
| Molecular Weight | 298.07358 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.07358 Da |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
| SMILES | CSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O |
| InChIKey | ZDRFDHHANOYUTE-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol. Following Lipinski's Rule of Five, 2-(Hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol has 3 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 2-(Hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol is 15397-51-0.
The molecular formula of 2-(Hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol is C11H14N4O4S.
The molecular weight of 2-(Hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol is 298.07358 g/mol.
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