28H
Summary
| Name: | (2R,3R)-3-hydroxy-2,4-dimethylpentanoic acid |
| Formula: | C7 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 146.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3R)-3-hydroxy-2,4-dimethylpentanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2R,3R)-2,4-dimethyl-3-oxidanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(C)C(O)C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C7H14O3/c1-4(2)6(8)5(3)7(9)10/h4-6,8H,1-3H3,(H,9,10)/t5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | ICRIJRMABYUYBG-PHDIDXHHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H](O)[C@@H](C)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH](O)[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]([C@@H](C(C)C)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)C(C(C)C(=O)O)O |
