ODW
Summary
| Name: | (1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol |
| Synonyms: | galacto-noeurostegine GNS |
| Formula: | C8 H15 N O4 |
| Formal charge: | 0 |
| Formula weight: | 189.209 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO4/c10-3-4-5-1-2-8(13,9-5)7(12)6(4)11/h4-7,9-13H,1-3H2/t4-,5+,6-,7-,8+/m0/s1 |
| InChIKey | InChI | 1.03 | NLSPHUUFXPUPJJ-GWVFRZDISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1[C@H](O)[C@H](O)[C@]2(O)CC[C@H]1N2 |
| SMILES | CACTVS | 3.385 | OC[CH]1[CH](O)[CH](O)[C]2(O)CC[CH]1N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@]2([C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC2(C(C(C(C1N2)CO)O)O)O |
