A1H38
Summary
| Name: | (1~{R},4~{S},5~{R},8~{S})-6-oxa-2-azabicyclo[3.2.1]octane-4,8-diol |
| Synonyms: | AD-DGJ 3,6-anhydro-D-1-deoxygalactonojirimycin |
| Formula: | C6 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 145.156 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},4~{S},5~{R},8~{S})-6-oxa-2-azabicyclo[3.2.1]octane-4,8-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H11NO3/c8-4-1-7-3-2-10-6(4)5(3)9/h3-9H,1-2H2 |
| InChIKey | InChI | 1.06 | WVZIAVGWQFETLH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CN[C@@H]2CO[C@@H]1[C@H]2O |
| SMILES | CACTVS | 3.385 | O[CH]1CN[CH]2CO[CH]1[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@@H]2[C@H]([C@H](N1)CO2)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C2C(C(N1)CO2)O)O |
