JBU
Summary
| Name: | (4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid |
| Formula: | C6 H10 O6 |
| Formal charge: | 0 |
| Formula weight: | 178.14 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R},5~{R})-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m1/s1 |
| InChIKey | InChI | 1.03 | WPAMZTWLKIDIOP-NQXXGFSBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](O)[C@H](O)CC(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | OC[CH](O)[CH](O)CC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@H]([C@@H](CO)O)O)C(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(C(CO)O)O)C(=O)C(=O)O |
