D5X
Summary
| Name: | (2S)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate |
| Formula: | C5 H11 O8 P |
| Formal charge: | 0 |
| Formula weight: | 230.11 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,3,3-trihydroxy-4-oxopentyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.7.6 | [(2S)-2,3,3-tris(oxidanyl)-4-oxidanylidene-pentyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(OCC(O)C(O)(O)C(=O)C)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H11O8P/c1-3(6)5(8,9)4(7)2-13-14(10,11)12/h4,7-9H,2H2,1H3,(H2,10,11,12)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | FWCIRYJUXQBEHG-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)C(O)(O)[C@@H](O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)C(O)(O)[CH](O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)C([C@H](COP(=O)(O)O)O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)C(C(COP(=O)(O)O)O)(O)O |
