TL;DR: 2-[6-(Dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CAS 1164102-97-9) is a chemical compound with molecular formula C12H17N5O4 and molecular weight 295.12805 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[6-(dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: N6,N6-Dimethyladenosine, ARA DMAP, n6,n6-dimethyl-adenosine, Adenosine, N,N-dimethyl-, BAS 00485765
| Molecular Formula | C12H17N5O4 |
| Molecular Weight | 295.12805 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.12805 Da |
| Heavy Atoms | 21 |
| Complexity | 374.0 |
| SMILES | CN(C)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O |
| InChIKey | WVGPGNPCZPYCLK-UHFFFAOYSA-N |
The XLogP value of -0.2 indicates that 2-[6-(Dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[6-(Dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol. Following Lipinski's Rule of Five, 2-[6-(Dimethylamino)purin-9-yl]-5-(hydroxymethyl)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-[6-(Dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is 1164102-97-9.
The molecular formula of 2-[6-(Dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is C12H17N5O4.
The molecular weight of 2-[6-(Dimethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is 295.12805 g/mol.
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