TL;DR: Carbocyclic-2',3'-OH-4'-NH2 ara-adenosine (CAS 118237-78-8) is a chemical compound with molecular formula C11H16N6O2 and molecular weight 264.13348 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2R,3R,5R)-3-(aminomethyl)-5-(6-aminopurin-9-yl)cyclopentane-1,2-diol
Also Known As: C-2',3'-OH-4'-NH2 ara-A, Carbocyclic-2',3'-OH-4'-NH2 ara-adenosine, (1R,2R,3R,5R)-3-(aminomethyl)-5-(6-aminopurin-9-yl)cyclopentane-1,2-diol, 1,2-Cyclopentanediol, 3-(aminomethyl)-5-(6-amino-9H-purin-9-yl)-, (1alpha,2beta,3alpha,5alpha)-, (1R,2R,3R,5R)-3-(Aminomethyl)-5-(6-amino-9H-purin-9-yl)cyclopentane-1,2-diol
| Molecular Formula | C11H16N6O2 |
| Molecular Weight | 264.13348 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.13348 Da |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
| SMILES | C1[C@@H]([C@H]([C@@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)CN |
| InChIKey | GCYNLNCLHKMFHV-SQEXRHODSA-N |
The XLogP value of -0.7 indicates that Carbocyclic-2',3'-OH-4'-NH2 ara-adenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbocyclic-2',3'-OH-4'-NH2 ara-adenosine. Following Lipinski's Rule of Five, Carbocyclic-2',3'-OH-4'-NH2 ara-adenosine has 4 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 Carbocyclic-2',3'-OH-4'-NH2 ara-adenosine is 118237-78-8.
The molecular formula of Carbocyclic-2',3'-OH-4'-NH2 ara-adenosine is C11H16N6O2.
The molecular weight of Carbocyclic-2',3'-OH-4'-NH2 ara-adenosine is 264.13348 g/mol.
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