XIM
Summary
| Name: | 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL |
| Synonyms: | XYLOSE-DERIVED IMIDAZOLE |
| Formula: | C7 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 170.166 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6R,7S,8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol |
| OpenEye OEToolkits | 1.7.6 | (6R,7S,8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1ccn2c1C(O)C(O)C(O)C2 |
| InChI | InChI | 1.03 | InChI=1S/C7H10N2O3/c10-4-3-9-2-1-8-7(9)6(12)5(4)11/h1-2,4-6,10-12H,3H2/t4-,5+,6-/m1/s1 |
| InChIKey | InChI | 1.03 | QMHSBFMMOLGPGR-NGJCXOISSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@@H]1Cn2ccnc2[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.370 | O[CH]1Cn2ccnc2[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cn2c(n1)[C@@H]([C@H]([C@@H](C2)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cn2c(n1)C(C(C(C2)O)O)O |
