N52
Summary
| Name: | (2R)-2-(dihydroxymethyl)-2-hydroxy-3-oxobutyl 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 | (2R)-2-(dihydroxymethyl)-2-hydroxy-3-oxobutyl dihydrogen phosphate |
| OpenEye OEToolkits | 2.0.7 | [2-[bis(oxidanyl)methyl]-2-oxidanyl-3-oxidanylidene-butyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC(O)(C(O)O)C(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C5H11O8P/c1-3(6)5(9,4(7)8)2-13-14(10,11)12/h4,7-9H,2H2,1H3,(H2,10,11,12)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | IYNPDRWOJYWTNN-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)[C@@](O)(CO[P](O)(O)=O)C(O)O |
| SMILES | CACTVS | 3.385 | CC(=O)[C](O)(CO[P](O)(O)=O)C(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)C(COP(=O)(O)O)(C(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)C(COP(=O)(O)O)(C(O)O)O |
