HuagongsheHuagongshe Chemistry Print Report · For research reference only
(+)-2-Amino-7-phosphonoheptanoic acid
L-AP7 · L(+)-2-AMINO-7-PHOSPHONOHEPTANOIC ACID · Heptanoic acid, 2-amino-7-phosphono-, (2S)-
Identifiers & Physical Properties
| CAS No. | 81338-24-1 |
|---|---|
| Molecular formula | C7H16NO5P |
| Average molar mass | 225.18 g/mol |
| Monoisotopic mass | 225.07660961 g/mol |
| SMILES | N[C@@H](CCCCCP(=O)(O)O)C(=O)O |
| InChIKey | MYDMWESTDPJANS-LURJTMIESA-N |
| PubChem CID | 6348564 |
| ChEMBL | CHEMBL502740 |
| DTXSID | DTXSID101000167 |
Chemical & Physical Properties
| XLogP | -3.6 |
|---|---|
| Topological polar surface area | 121 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 7 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 226 |
| Boiling point | 480.1±55.0 °C(Predicted) |
| Density | 1.390±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 2.54±0.24(Predicted) |
| FDA UNII | DK0IVR1IZJ |