N46
Summary
| Name: | (2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate |
| Formula: | C5 H9 O7 P |
| Formal charge: | 0 |
| Formula weight: | 212.095 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-hydroxy-3,4-dioxopentyl dihydrogen phosphate |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-2-oxidanyl-3,4-bis(oxidanylidene)pentyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC(O)C(=O)C(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4,7H,2H2,1H3,(H2,9,10,11)/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | DTZHMTDUIGHESZ-SCSAIBSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)C(=O)[C@H](O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)C(=O)[CH](O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)C(=O)[C@@H](COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)C(=O)C(COP(=O)(O)O)O |
