TL;DR: 1,8-Nonanediol, 7-(6-amino-9H-purin-9-yl)-, (7R,8S)- (CAS 159722-90-4) is a chemical compound with molecular formula C14H23N5O2 and molecular weight 293.18518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7R,8S)-7-(6-aminopurin-9-yl)nonane-1,8-diol
Also Known As: (7R,8S)-7-(6-aminopurin-9-yl)nonane-1,8-diol, (7R,8S)-7-(6-Amino-9H-purin-9-yl)nonane-1,8-diol, 1,8-Nonanediol, 7-(6-amino-9H-purin-9-yl)-, (7R,8S)-, 1,8-Nonanediol,7-(6-amino-9H-purin-9-yl)-,(7R,8S)
| Molecular Formula | C14H23N5O2 |
| Molecular Weight | 293.18518 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 293.18518 Da |
| Heavy Atoms | 21 |
| Complexity | 307.0 |
| SMILES | C[C@@H]([C@@H](CCCCCCO)N1C=NC2=C(N=CN=C21)N)O |
| InChIKey | JPMVIXUFWCZSGS-WDEREUQCSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Nonanediol, 7-(6-amino-9H-purin-9-yl)-, (7R,8S)-. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-Nonanediol, 7-(6-amino-9H-purin-9-yl)-, (7R,8S)-. Following Lipinski's Rule of Five, 1,8-Nonanediol, 7-(6-amino-9H-purin-9-yl)-, (7R,8S)- has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,8-Nonanediol, 7-(6-amino-9H-purin-9-yl)-, (7R,8S)- is 159722-90-4.
The molecular formula of 1,8-Nonanediol, 7-(6-amino-9H-purin-9-yl)-, (7R,8S)- is C14H23N5O2.
The molecular weight of 1,8-Nonanediol, 7-(6-amino-9H-purin-9-yl)-, (7R,8S)- is 293.18518 g/mol.
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