VMF
Summary
| Name: | (2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol |
| Formula: | C6 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 163.172 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1 |
| InChIKey | InChI | 1.06 | PFYHYHZGDNWFIF-KAZBKCHUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1N[C@H](CO)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1N[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(N1)CO)O)O)O |
