TL;DR: 5-Amino-3,4-dihydroxy-2-isopropyl-7-methyloctanoic acid (CAS 1158570-31-0) is a chemical compound with molecular formula C12H25NO4 and molecular weight 247.17836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4R,5S)-5-amino-3,4-dihydroxy-7-methyl-2-propan-2-yloctanoic acid
Also Known As: 5-Adimoa, 5-Amino-3,4-dihydroxy-2-isopropyl-7-methyloctanoic acid, 5-amino-3,4-dihydroxy-7-methyl-2-propan-2-yloctanoic acid, (2R,3R,4R,5S)-5-amino-3,4-dihydroxy-7-methyl-2-propan-2-yloctanoic acid, 5-Amino-3,4-dihydroxy-7-methyl-2-(propan-2-yl)octanoic acid
| Molecular Formula | C12H25NO4 |
| Molecular Weight | 247.17836 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 247.17836 Da |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
| SMILES | CC(C)C[C@@H]([C@H]([C@@H]([C@@H](C(C)C)C(=O)O)O)O)N |
| InChIKey | PWGMWPXTBHYKNG-LNFKQOIKSA-N |
The XLogP value of -1.6 indicates that 5-Amino-3,4-dihydroxy-2-isopropyl-7-methyloctanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-3,4-dihydroxy-2-isopropyl-7-methyloctanoic acid. Following Lipinski's Rule of Five, 5-Amino-3,4-dihydroxy-2-isopropyl-7-methyloctanoic acid 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 5-Amino-3,4-dihydroxy-2-isopropyl-7-methyloctanoic acid is 1158570-31-0.
The molecular formula of 5-Amino-3,4-dihydroxy-2-isopropyl-7-methyloctanoic acid is C12H25NO4.
The molecular weight of 5-Amino-3,4-dihydroxy-2-isopropyl-7-methyloctanoic acid is 247.17836 g/mol.
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