TL;DR: Clitocine (CAS 105798-74-1) is a chemical compound with molecular formula C9H13N5O6 and molecular weight 287.08658 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: Clitocine, starbld0000883, 6-Amino-5-nitro-4-(ribofuranosylamino)pyrimidine, (2R,3R,4S,5R)-2-[(6-amino-5-nitropyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol, J1.579.640E
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H13N5O6 |
| Molecular Weight | 287.08658 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 180.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.08658 Da |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
| SMILES | C1=NC(=C(C(=N1)N[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)[N+](=O)[O-])N |
| InChIKey | OHEMBWZZEKCBAS-UUOKFMHZSA-N |
The XLogP value of -0.4 indicates that Clitocine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.0 Ų indicates high polarity, suggesting Clitocine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Clitocine has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Clitocine is 105798-74-1.
The molecular formula of Clitocine is C9H13N5O6.
The molecular weight of Clitocine is 287.08658 g/mol.
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