A1L3Z
Summary
| Name: | (2~{S},3~{S},4~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]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~{S},3~{S},4~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]pyrrolidine-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H13NO4/c8-2-4(10)5-6(11)3(9)1-7-5/h3-11H,1-2H2/t3-,4+,5-,6+/m0/s1 |
| InChIKey | InChI | 1.06 | RVNSAAIWCWTCTJ-BGPJRJDNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](O)[C@@H]1NC[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH](O)[CH]1NC[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@H]([C@@H](N1)[C@@H](CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(N1)C(CO)O)O)O |
