TL;DR: D-Erythro-3-Methylmalate (CAS 152204-30-3) is a chemical compound with molecular formula C5H8O5 and molecular weight 148.03717 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S)-2-hydroxy-3-methylbutanedioic acid
Also Known As: D-erythro-3-methylmalic acid, D-erythro-3-Methylmalate, (2R,3S)-3-Methylmalate, (2R,3S)-3-methylmalic acid, (2R,3S)-2-hydroxy-3-methylbutanedioic acid
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H8O5 |
| Molecular Weight | 148.03717 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.03717 Da |
| Heavy Atoms | 10 |
| Complexity | 152.0 |
| SMILES | C[C@@H]([C@H](C(=O)O)O)C(=O)O |
| InChIKey | NPYQJIHHTGFBLN-STHAYSLISA-N |
The XLogP value of -0.8 indicates that D-Erythro-3-Methylmalate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for D-Erythro-3-Methylmalate. Following Lipinski's Rule of Five, D-Erythro-3-Methylmalate has 3 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 D-Erythro-3-Methylmalate is 152204-30-3.
The molecular formula of D-Erythro-3-Methylmalate is C5H8O5.
The molecular weight of D-Erythro-3-Methylmalate is 148.03717 g/mol.
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