VMO
Summary
| Name: | (2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol |
| Formula: | C6 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 147.172 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H13NO3/c1-7-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3H2,1H3/t4-,5-,6+/m1/s1 |
| InChIKey | InChI | 1.06 | UBVOJPDDTVFNFJ-PBXRRBTRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C[C@@H](O)[C@@H](O)[C@H]1CO |
| SMILES | CACTVS | 3.385 | CN1C[CH](O)[CH](O)[CH]1CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C[C@H]([C@H]([C@H]1CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CC(C(C1CO)O)O |
