GG6
Summary
| Name: | [(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHONIC ACID |
| Formula: | C3 H9 O5 P |
| Formal charge: | 0 |
| Formula weight: | 156.074 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(1S,2S)-1,2-dihydroxypropyl]phosphonic acid |
| OpenEye OEToolkits | 1.5.0 | [(1S,2S)-1,2-dihydroxypropyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)C(O)C(O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](O)[C@@H](O)[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](O)[CH](O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]([C@@H](O)P(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(O)P(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C3H9O5P/c1-2(4)3(5)9(6,7)8/h2-5H,1H3,(H2,6,7,8)/t2-,3-/m0/s1 |
| InChIKey | InChI | 1.03 | MXMXXUIOCREOTJ-HRFVKAFMSA-N |
