TL;DR: 4-Phosphonomethylphenylalanine (CAS 142434-80-8) is a chemical compound with molecular formula C10H14NO5P and molecular weight 259.06097 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-3-[4-(phosphonomethyl)phenyl]propanoic acid
Also Known As: 4-Phosphonomethyl-L-phenylalanine, 4-Phosphonomethylphenylalanine, L-Pmp, 4-Phosphonomethyl-L-phe, L-Pmp-OH
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H14NO5P |
| Molecular Weight | 259.06097 g/mol |
| XLogP | -3.5 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.06097 Da |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
| SMILES | C1=CC(=CC=C1C[C@@H](C(=O)O)N)CP(=O)(O)O |
| InChIKey | SAQLLHDEEMZENJ-VIFPVBQESA-N |
The XLogP value of -3.5 indicates that 4-Phosphonomethylphenylalanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phosphonomethylphenylalanine. Following Lipinski's Rule of Five, 4-Phosphonomethylphenylalanine has 4 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 4-Phosphonomethylphenylalanine is 142434-80-8.
The molecular formula of 4-Phosphonomethylphenylalanine is C10H14NO5P.
The molecular weight of 4-Phosphonomethylphenylalanine is 259.06097 g/mol.
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