1AB
Summary
| Name: | 1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL |
| Formula: | C5 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 133.146 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4R)-2-(hydroxymethyl)pyrrolidine-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCC1NCC(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1NC[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | OC[CH]1NC[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]([C@@H]([C@H](N1)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(N1)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m1/s1 |
| InChIKey | InChI | 1.03 | OQEBIHBLFRADNM-UOWFLXDJSA-N |
