26T
Summary
| Name: | (3R)-3-hydroxy-2,4-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 | (3R)-3-hydroxy-2,4-dioxopentyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.9.2 | [(3R)-3-oxidanyl-2,4-bis(oxidanylidene)pentyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(OCC(=O)C(O)C(=O)C)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H9O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h5,8H,2H2,1H3,(H2,9,10,11)/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | AKHNGSPNHAFBII-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)[C@@H](O)C(=O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)[CH](O)C(=O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)[C@H](C(=O)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)C(C(=O)COP(=O)(O)O)O |
