89V
Summary
| Name: | (2S)-2,3-dihydroxy-3-methylbutanoic acid |
| Formula: | C5 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 134.13 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,3-dihydroxy-3-methylbutanoic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-3-methyl-2,3-bis(oxidanyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)C(O)C(C)(C)O |
| InChI | InChI | 1.03 | InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | JTEYKUFKXGDTEU-GSVOUGTGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)[C@H](O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(O)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)([C@@H](C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C(C(=O)O)O)O |
