A1H36
Summary
| Name: | (1~{R},5~{R},8~{S})-6-oxa-3-azabicyclo[3.2.1]octan-8-ol |
| Synonyms: | ADG-IF (3,6-anhydro-D-galacto-isofagomine) |
| Formula: | C6 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 129.157 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},5~{R},8~{S})-6-oxa-3-azabicyclo[3.2.1]octan-8-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H11NO2/c8-6-4-1-7-2-5(6)9-3-4/h4-8H,1-3H2/t4-,5-,6+/m1/s1 |
| InChIKey | InChI | 1.06 | TWEISKJFQUHRBG-PBXRRBTRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@@H]2CNC[C@H]1OC2 |
| SMILES | CACTVS | 3.385 | O[CH]1[CH]2CNC[CH]1OC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]2CO[C@@H]([C@H]2O)CN1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C2COC(C2O)CN1 |
