SDD
Summary
| Name: | D-sorbose |
| Formula: | C6 H12 O6 |
| Formal charge: | 0 |
| Formula weight: | 180.156 Da |
| Component type: | D-SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | D-sorbose |
| OpenEye OEToolkits | 1.7.6 | (3R,4S,5R)-1,3,4,5,6-pentakis(oxidanyl)hexan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C(O)C(O)C(O)CO)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5+,6+/m1/s1 |
| InChIKey | InChI | 1.03 | BJHIKXHVCXFQLS-PYWDMBMJSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@@H](O)[C@H](O)[C@@H](O)C(=O)CO |
| SMILES | CACTVS | 3.370 | OC[CH](O)[CH](O)[CH](O)C(=O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@H]([C@@H]([C@H](C(=O)CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C(C(C(=O)CO)O)O)O)O |
