KO1
Summary
| Name: | D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid |
| Synonyms: | D-glycero-alpha-D-talo-oct-2-ulosonic acid D-glycero-D-talo-oct-2-ulosonic acid; D-glycero-talo-oct-2-ulosonic acid |
| Formula: | C8 H14 O9 |
| Formal charge: | 0 |
| Formula weight: | 254.191 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,3S,4S,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,3,4,5-tetrahydroxy-oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H](O)[C@H]1O[C@](O)([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O |
| SMILES | CACTVS | 3.341 | OC[CH](O)[CH]1O[C](O)([CH](O)[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@@H]1[C@@H]([C@@H]([C@@H]([C@@](O1)(C(=O)O)O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C1C(C(C(C(O1)(C(=O)O)O)O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H14O9/c9-1-2(10)5-3(11)4(12)6(13)8(16,17-5)7(14)15/h2-6,9-13,16H,1H2,(H,14,15)/t2-,3-,4+,5-,6+,8-/m1/s1 |
| InChIKey | InChI | 1.03 | GQQWVQCNFJXTNV-CXERMUKYSA-N |
