A1AFY
Summary
| Name: | (R)-mevaldehyde |
| Synonyms: | (3R)-3-hydroxy-3-methyl-5-oxopentanoic acid |
| Formula: | C6 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 146.141 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-hydroxy-3-methyl-5-oxopentanoic acid |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(O)(CC=O)CC(O)=O |
| InChI | InChI | 1.06 | InChI=1S/C6H10O4/c1-6(10,2-3-7)4-5(8)9/h3,10H,2,4H2,1H3,(H,8,9)/t6-/m1/s1 |
| InChIKey | InChI | 1.06 | CWCYSIIDJAVQSK-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@](O)(CC=O)CC(O)=O |
| SMILES | CACTVS | 3.385 | C[C](O)(CC=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@](CC=O)(CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CC=O)(CC(=O)O)O |
