TL;DR: 2'-Deoxy-2'-methyleneadenosine (CAS 129932-21-4) is a chemical compound with molecular formula C11H13N5O3 and molecular weight 263.10184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methylideneoxolan-3-ol
Also Known As: MdAdo, 2'-Deoxy-2'-methyleneadenosine, 2/'-Deoxy-2/'-methyleneadenosine, 2'-deoxy-2'-methylideneadenosine, 2'-Deoxy-2'-methylene-Adenosine
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H13N5O3 |
| Molecular Weight | 263.10184 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.10184 Da |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
| SMILES | C=C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O |
| InChIKey | JGQTWRGPSIKPOT-CDOJRTKCSA-N |
The XLogP value of -0.8 indicates that 2'-Deoxy-2'-methyleneadenosine 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 2'-Deoxy-2'-methyleneadenosine. Following Lipinski's Rule of Five, 2'-Deoxy-2'-methyleneadenosine 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 2'-Deoxy-2'-methyleneadenosine is 129932-21-4.
The molecular formula of 2'-Deoxy-2'-methyleneadenosine is C11H13N5O3.
The molecular weight of 2'-Deoxy-2'-methyleneadenosine is 263.10184 g/mol.
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