S9R
Summary
| Name: | [(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate |
| Formula: | C6 H14 O8 P2 |
| Formal charge: | 0 |
| Formula weight: | 276.118 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(~{E})-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H14O8P2/c1-2-6(5-7)3-4-13-16(11,12)14-15(8,9)10/h3,7H,2,4-5H2,1H3,(H,11,12)(H2,8,9,10)/b6-3+ |
| InChIKey | InChI | 1.06 | DIWVCVDIGMPHFB-ZZXKWVIFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC\C(CO)=C/CO[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CCC(CO)=CCO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC/C(=C\COP(=O)(O)OP(=O)(O)O)/CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=CCOP(=O)(O)OP(=O)(O)O)CO |
