YRQ
Summary
| Name: | [(2S)-1-hydroxypropan-2-yl]phosphonic acid |
| Formula: | C3 H9 O4 P |
| Formal charge: | 0 |
| Formula weight: | 140.075 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2S)-1-hydroxypropan-2-yl]phosphonic acid |
| OpenEye OEToolkits | 2.0.7 | [(2~{S})-1-oxidanylpropan-2-yl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(CO)P(=O)(O)O |
| InChI | InChI | 1.06 | InChI=1S/C3H9O4P/c1-3(2-4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1 |
| InChIKey | InChI | 1.06 | AAZGNRIYIVFCOY-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CO)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](CO)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](CO)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CO)P(=O)(O)O |
