TL;DR: Nikkomycin So(Z) (CAS 140447-96-7) is a chemical compound with molecular formula C12H14N2O9 and molecular weight 330.06992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,3aS,5S,6S,7R,7aR)-2-(2,4-dioxopyrimidin-1-yl)-3,6,7-trihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
Also Known As: Nikkomycin So(Z), Nikkomycin soz, Nikkomycin So-Z, (2R,3R,3aS,5S,6S,7R,7aR)-2-(2,4-dioxopyrimidin-1-yl)-3,6,7-trihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid, 1-(3,7-Anhydrooctofuranuronosyl)-4-hydroxypyrimidin-2(1H)-one
| Molecular Formula | C12H14N2O9 |
| Molecular Weight | 330.06992 g/mol |
| XLogP | -2.9 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.06992 Da |
| Heavy Atoms | 23 |
| Complexity | 579.0 |
| SMILES | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]3[C@H](O2)[C@@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
| InChIKey | AASHGHDGOQHZOR-ZVMZQBCWSA-N |
The XLogP value of -2.9 indicates that Nikkomycin So(Z) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting Nikkomycin So(Z) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nikkomycin So(Z) has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Nikkomycin So(Z) is 140447-96-7.
The molecular formula of Nikkomycin So(Z) is C12H14N2O9.
The molecular weight of Nikkomycin So(Z) is 330.06992 g/mol.
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