K5B
Summary
| Name: | 4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid |
| Synonyms: | 4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid |
| Formula: | C8 H12 O7 |
| Formal charge: | 0 |
| Formula weight: | 220.177 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4-,5+,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | HVHHMEMCULPBED-BDVNFPICSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](CC(=O)C(O)=O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](CC(=O)C(O)=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C1C(C(C(O1)CO)O)O)C(=O)C(=O)O |
