DMV
Summary
| Name: | 2,3-DIHYDROXY-VALERIANIC ACID |
| Formula: | C6 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 148.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4,5-dideoxy-3-C-methyl-D-erythro-pentonic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,3R)-2,3-dihydroxy-3-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(O)C(O)(C)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@@](C)(O)[C@@H](O)C(O)=O |
| SMILES | CACTVS | 3.341 | CC[C](C)(O)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@](C)([C@H](C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(C)(C(C(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | PDGXJDXVGMHUIR-UJURSFKZSA-N |
