OPL
Summary
| Name: | (2R,3R)-2,4,4-trihydroxy-3-methylbutanal |
| Formula: | C5 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 134.13 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3R)-2,4,4-trihydroxy-3-methylbutanal |
| OpenEye OEToolkits | 1.7.6 | (2R,3R)-3-methyl-2,4,4-tris(oxidanyl)butanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CC(O)C(C)C(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H10O4/c1-3(5(8)9)4(7)2-6/h2-5,7-9H,1H3/t3-,4+/m1/s1 |
| InChIKey | InChI | 1.03 | NTSABUYTFOFFJR-DMTCNVIQSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](C(O)O)[C@@H](O)C=O |
| SMILES | CACTVS | 3.370 | C[CH](C(O)O)[CH](O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]([C@H](C=O)O)C(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(C=O)O)C(O)O |
