VN0
Summary
| Name: | (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(methylaminomethyl)pyrrolidine-3,4-diol |
| Formula: | C7 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 176.214 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(methylaminomethyl)pyrrolidine-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H16N2O3/c1-8-2-4-6(11)7(12)5(3-10)9-4/h4-12H,2-3H2,1H3/t4-,5-,6-,7+/m1/s1 |
| InChIKey | InChI | 1.06 | LPOCSFFEUYJDFL-GBNDHIKLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CNC[CH]1N[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC[C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCC1C(C(C(N1)CO)O)O |
