8OQ
Summary
| Name: | alpha-D-aceric acid |
| Formula: | C6 H10 O6 |
| Formal charge: | 0 |
| Formula weight: | 178.14 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{R},4~{R},5~{S})-2-methyl-3,4,5-tris(oxidanyl)oxolane-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H10O6/c1-2-6(11,5(9)10)3(7)4(8)12-2/h2-4,7-8,11H,1H3,(H,9,10)/t2-,3+,4+,6+/m1/s1 |
| InChIKey | InChI | 1.03 | PAIOZXJXGSOKFN-SYXVZTBSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1O[C@H](O)[C@H](O)[C@]1(O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1O[CH](O)[CH](O)[C]1(O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H]1[C@]([C@H]([C@H](O1)O)O)(C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1C(C(C(O1)O)O)(C(=O)O)O |
