MVL
Summary
| Name: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL |
| Synonyms: | Mannoimidazole |
| Formula: | C8 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 200.192 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R,6R,7S,8R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol |
| OpenEye OEToolkits | 1.7.6 | (5R,6R,7S,8R)-5-(hydroxymethyl)-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)C2CO |
| InChI | InChI | 1.03 | InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1 |
| InChIKey | InChI | 1.03 | RZRDQZQPTISYKY-JWXFUTCRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12 |
| SMILES | CACTVS | 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)c2nccn12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cn2c(n1)C(C(C(C2CO)O)O)O |
