PEZ
Summary
| Name: | 2-(PHOSPHONOOXY)BUTANOIC ACID |
| Formula: | C4 H9 O6 P |
| Formal charge: | 0 |
| Formula weight: | 184.084 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-(phosphonooxy)butanoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-phosphonooxybutanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OC(C(=O)O)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@@H](O[P](O)(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | CC[CH](O[P](O)(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC(C(=O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(C(=O)O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H9O6P/c1-2-3(4(5)6)10-11(7,8)9/h3H,2H2,1H3,(H,5,6)(H2,7,8,9)/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | OETAGSCBSKODFW-GSVOUGTGSA-N |
