Showing Metabocard for O-acetyl-L-homoserine (BASm0002909)
| Common Name | O-acetyl-l-homoserine |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C6H11NO4 |
| Average Mass | 161.15580 |
| Monoisotopic Mass | 161.06881 |
| IUPAC Name | 4-(acetyloxy)-2-aminobutanoic acid |
| Traditional Name | O-acetylhomoserine |
| CAS Registry Number | 7540-67-2 |
| SMILES | CC(=O)OCC[C@H]([NH3+])C(=O)[O-] |
| InChI Identifier | InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1 |
| InChI Key | FCXZBWSIAGGPCB-YFKPBYRVSA-N |
| CHEBI ID | CHEBI:57716 |
| MiMeDB ID | MMDBc0032931 |
| State | Expected Solid |
| Water Solubility | 8.39e+01 g/l |
| logP | -2.87 |
| logS | -0.28 |
| pKa (Strongest Acidic) | 2.02 |
| pKa (Strongest Basic) | 9.46 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 89.62 Ų |
| Rotatable Bond Count | 5 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 36.06 m³·mol⁻¹ |
| Polarizability | 15.54 |