TL;DR: 2(1H)-Pyrimidinone, 4-amino-1-(2,3-dideoxy-b-D-erythro-hexopyranosyl)- (CAS 136020-18-3) is a chemical compound with molecular formula C10H15N3O4 and molecular weight 241.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-1-[(2R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidin-2-one
Also Known As: ddC analog, 2',3'-Dideoxy-hexopyranosyl cytidine, 1-(2',3'-Dideoxy-beta-D-glucopyranosyl)cytosine, 2(1H)-Pyrimidinone, 4-amino-1-(2,3-dideoxy-b-D-erythro-hexopyranosyl)-, 1-(2',3'-Dideoxy-.beta.-D-glucopyranosyl)cytosine
| Molecular Formula | C10H15N3O4 |
| Molecular Weight | 241.10626 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.10626 Da |
| Heavy Atoms | 17 |
| Complexity | 369.0 |
| SMILES | C1C[C@@H](O[C@@H]([C@H]1O)CO)N2C=CC(=NC2=O)N |
| InChIKey | GOUMWHNAXBKGRV-LKEWCRSYSA-N |
The XLogP value of -1.4 indicates that 2(1H)-Pyrimidinone, 4-amino-1-(2,3-dideoxy-b-D-erythro-hexopyranosyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(1H)-Pyrimidinone, 4-amino-1-(2,3-dideoxy-b-D-erythro-hexopyranosyl)-. Following Lipinski's Rule of Five, 2(1H)-Pyrimidinone, 4-amino-1-(2,3-dideoxy-b-D-erythro-hexopyranosyl)- has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2(1H)-Pyrimidinone, 4-amino-1-(2,3-dideoxy-b-D-erythro-hexopyranosyl)- is 136020-18-3.
The molecular formula of 2(1H)-Pyrimidinone, 4-amino-1-(2,3-dideoxy-b-D-erythro-hexopyranosyl)- is C10H15N3O4.
The molecular weight of 2(1H)-Pyrimidinone, 4-amino-1-(2,3-dideoxy-b-D-erythro-hexopyranosyl)- is 241.10626 g/mol.
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