TL;DR: Nikkomycin pseudo-Z (CAS 120796-21-6) is a chemical compound with molecular formula C20H25N5O10 and molecular weight 495.16016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
Also Known As: Nikkomycin pseudo-Z, 2-[[2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid, 2-((2-Amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl)amino)-3,6-anhydro-2-deoxy-6-(2,4-dihydroxy-5-pyrimidinyl)hexonic acid, 2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridyl)-3-methyl-butanoyl]amino]-2-[5-(2,4-dihydroxypyrimidin-5-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid, beta-D-Allofuranuronic acid, 5-((2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl)amino)-1,5-dideoxy-1-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-, (2S-(2R*,3R*,4R*))-
| Molecular Formula | C20H25N5O10 |
| Molecular Weight | 495.16016 g/mol |
| XLogP | -6.1 |
| Topological Polar Surface Area (TPSA) | 254.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.16016 Da |
| Heavy Atoms | 35 |
| Complexity | 884.0 |
| SMILES | CC(C(C1=NC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)C3=CNC(=O)NC3=O)O)O)C(=O)O)N |
| InChIKey | NVRDDWVSOKPQFQ-UHFFFAOYSA-N |
The XLogP value of -6.1 indicates that Nikkomycin pseudo-Z is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 254.0 Ų indicates high polarity, suggesting Nikkomycin pseudo-Z may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nikkomycin pseudo-Z has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Nikkomycin pseudo-Z is 120796-21-6.
The molecular formula of Nikkomycin pseudo-Z is C20H25N5O10.
The molecular weight of Nikkomycin pseudo-Z is 495.16016 g/mol.
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