XII
Summary
| Name: | (3R)-3,5,5-trihydroxy-3-methylpentanoic acid |
| Formula: | C6 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 164.156 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3,5,5-trihydroxy-3-methylpentanoic acid |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-methyl-3,5,5-tris(oxidanyl)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)CC(O)(C)CC(O)O |
| InChI | InChI | 1.06 | InChI=1S/C6H12O5/c1-6(11,2-4(7)8)3-5(9)10/h4,7-8,11H,2-3H2,1H3,(H,9,10)/t6-/m1/s1 |
| InChIKey | InChI | 1.06 | LENSSSSJMZWHIU-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@](O)(CC(O)O)CC(O)=O |
| SMILES | CACTVS | 3.385 | C[C](O)(CC(O)O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@](CC(O)O)(CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CC(O)O)(CC(=O)O)O |
