X9X
Summary
| Name: | D-allitol |
| Formula: | C6 H14 O6 |
| Formal charge: | 0 |
| Formula weight: | 182.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | D-allitol |
| OpenEye OEToolkits | 1.9.2 | (2R,3R,4S,5S)-hexane-1,2,3,4,5,6-hexol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(C(O)CO)C(O)C(O)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6+ |
| InChIKey | InChI | 1.03 | FBPFZTCFMRRESA-FBXFSONDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO |
| SMILES | CACTVS | 3.385 | OC[CH](O)[CH](O)[CH](O)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C([C@H]([C@H]([C@H]([C@H](CO)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(C(C(C(C(CO)O)O)O)O)O |
