SSH
Summary
| Name: | 3-DEOXY-D-ARABINO-HEXONIC ACID |
| Synonyms: | D-2-KETO-3-DEOXYGLUCONATE |
| Formula: | C6 H12 O6 |
| Formal charge: | 0 |
| Formula weight: | 180.156 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-deoxy-D-arabino-hexonic acid |
| OpenEye OEToolkits | 1.5.0 | (2S,4S,5R)-2,4,5,6-tetrahydroxyhexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(O)CC(O)C(O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H](O)[C@@H](O)C[C@H](O)C(O)=O |
| SMILES | CACTVS | 3.341 | OC[CH](O)[CH](O)C[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(CO)O)O)C(C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5+/m0/s1 |
| InChIKey | InChI | 1.03 | YGMNHEPVTNXLLS-VAYJURFESA-N |
