A1H05
Summary
| Name: | (2S,3R,4S)-2-[bis(oxidanyl)methyl]pyrrolidine-3,4-diol |
| Synonyms: | glycosyrin hydrate form |
| Formula: | C5 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 149.145 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R},4~{S})-2-[bis(oxidanyl)methyl]pyrrolidine-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H11NO4/c7-2-1-6-3(4(2)8)5(9)10/h2-10H,1H2/t2-,3-,4-/m0/s1 |
| InChIKey | InChI | 1.06 | GRHIWHJZSCBMFQ-HZLVTQRSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(O)[C@H]1NC[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC(O)[CH]1NC[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@@H]([C@H](N1)C(O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(N1)C(O)O)O)O |
