OUO
Summary
| Name: | (2R)-2-(hydroxymethyl)pentanedioic acid |
| Formula: | C6 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 162.141 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-(hydroxymethyl)pentanedioic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-(hydroxymethyl)pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)C(CCC(O)=O)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H10O5/c7-3-4(6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | XPQIPNORJZZYPV-SCSAIBSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](CCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | OC[CH](CCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CC(=O)O)[C@H](CO)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CC(=O)O)C(CO)C(=O)O |
