DXL
Summary
| Name: | D-xylaric acid |
| Synonyms: | m-Xylarate |
| Formula: | C5 H8 O7 |
| Formal charge: | 0 |
| Formula weight: | 180.113 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | D-xylaric acid |
| OpenEye OEToolkits | 1.7.0 | (2R,4S)-2,3,4-trihydroxypentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)C(O)C(O)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]([C@@H](O)C(O)=O)[C@H](O)C(O)=O |
| SMILES | CACTVS | 3.370 | O[CH]([CH](O)C(O)=O)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [C@@H](C([C@@H](C(=O)O)O)O)(C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(C(C(=O)O)O)(C(C(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H8O7/c6-1(2(7)4(9)10)3(8)5(11)12/h1-3,6-8H,(H,9,10)(H,11,12)/t1-,2-,3+ |
| InChIKey | InChI | 1.03 | NPTTZSYLTYJCPR-FFEAPLRNSA-N |
