TL;DR: 1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-3,6-dihydro- (CAS 114522-16-6) is a chemical compound with molecular formula C8H14N4O4 and molecular weight 230.1015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
Also Known As: 1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-3,6-dihydro-, 6-amino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
| Molecular Formula | C8H14N4O4 |
| Molecular Weight | 230.1015 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.1015 Da |
| Heavy Atoms | 16 |
| Complexity | 321.0 |
| SMILES | C1C(C(OC1N2CN=C(NC2=O)N)CO)O |
| InChIKey | LAOLDMMWVYDDID-UHFFFAOYSA-N |
The XLogP value of -2.0 indicates that 1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-3,6-dihydro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-3,6-dihydro-. Following Lipinski's Rule of Five, 1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-3,6-dihydro- has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-3,6-dihydro- is 114522-16-6.
The molecular formula of 1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-3,6-dihydro- is C8H14N4O4.
The molecular weight of 1,3,5-Triazin-2(1H)-one, 4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-3,6-dihydro- is 230.1015 g/mol.
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