7D1
Summary
| Name: | 1,5-anhydro-2-deoxy-D-arabino-hexitol |
| Synonyms: | (2~{R},3~{S},4~{R})-2-(hydroxymethyl)oxane-3,4-diol 1,2-dideoxy-D-mannopyranose |
| Formula: | C6 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 148.157 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{S},4~{R})-2-(hydroxymethyl)oxane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H12O4/c7-3-5-6(9)4(8)1-2-10-5/h4-9H,1-3H2/t4-,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | QFHKFGOUFKUPNX-PBXRRBTRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1OCC[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1OCC[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CO[C@@H]([C@H]([C@@H]1O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1COC(C(C1O)O)CO |
