TL;DR: Hexuronic acid, 4-deoxy-5-keto- (CAS 116696-68-5) is a chemical compound with molecular formula C6H8O6 and molecular weight 176.03209 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dihydroxy-2,6-dioxohexanoic acid
Also Known As: Hexuronic acid, 4-deoxy-5-keto-, 4-Deoxyhex-5-ulosuronic acid, 4-Deoxy-5-keto-hexuronic acid, 4,5-dihydroxy-2,6-dioxohexanoic acid
| Molecular Formula | C6H8O6 |
| Molecular Weight | 176.03209 g/mol |
| XLogP | -2.1 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.03209 Da |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
| SMILES | C(C(C(C=O)O)O)C(=O)C(=O)O |
| InChIKey | IMUGYKFHMJLTOU-UHFFFAOYSA-N |
The XLogP value of -2.1 indicates that Hexuronic acid, 4-deoxy-5-keto- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexuronic acid, 4-deoxy-5-keto-. Following Lipinski's Rule of Five, Hexuronic acid, 4-deoxy-5-keto- has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Hexuronic acid, 4-deoxy-5-keto- is 116696-68-5.
The molecular formula of Hexuronic acid, 4-deoxy-5-keto- is C6H8O6.
The molecular weight of Hexuronic acid, 4-deoxy-5-keto- is 176.03209 g/mol.
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