TL;DR: Oxetanocin (CAS 103913-16-2) is a chemical compound with molecular formula C10H13N5O3 and molecular weight 251.10184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)oxetan-3-yl]methanol
Also Known As: Oxetanocin A, Oxetanocin, (-)-Oxetanocin, (-)-oxetanocin A, oxetanocin A (Oxt-A)
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H13N5O3 |
| Molecular Weight | 251.10184 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.10184 Da |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H](O3)CO)CO)N |
| InChIKey | LMJVXGOFWKVXAW-OXOINMOOSA-N |
The XLogP value of -1.4 indicates that Oxetanocin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxetanocin. Following Lipinski's Rule of Five, Oxetanocin has 3 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 Oxetanocin is 103913-16-2.
The molecular formula of Oxetanocin is C10H13N5O3.
The molecular weight of Oxetanocin is 251.10184 g/mol.
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