8YV
Summary
| Name: | 2-keto-D-gluconic acid |
| Synonyms: | (3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid D-fructosonic acid |
| Formula: | C6 H10 O7 |
| Formal charge: | 0 |
| Formula weight: | 194.139 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | D-fructosonic acid |
| OpenEye OEToolkits | 2.0.6 | (3~{S},4~{R},5~{R})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(CO)O)(O)C(C(C(=O)O)=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3-,4+/m1/s1 |
| InChIKey | InChI | 1.03 | VBUYCZFBVCCYFD-JJYYJPOSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | OC[CH](O)[CH](O)[CH](O)C(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C(C(C(C(=O)C(=O)O)O)O)O)O |
