UXR
Summary
| Name: | (2S)-2-phosphonopropanoic acid |
| Formula: | C3 H7 O5 P |
| Formal charge: | 0 |
| Formula weight: | 154.058 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-phosphonopropanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-phosphonopropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(C)P(=O)(O)O |
| InChI | InChI | 1.06 | InChI=1S/C3H7O5P/c1-2(3(4)5)9(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m0/s1 |
| InChIKey | InChI | 1.06 | GUXRZQZCNOHHDO-REOHCLBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](C(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](C(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)O)P(=O)(O)O |
