SGJ
Summary
| Name: | 1,4-dideoxy-4-thio-nojirimycin |
| Formula: | C6 H13 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 179.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{S},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-5-sulfanyl-piperidine-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO3S/c8-2-3-6(11)5(10)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | NSHHSUUKQHDEOL-JGWLITMVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1S |
| SMILES | CACTVS | 3.385 | OC[CH]1NC[CH](O)[CH](O)[CH]1S |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)S)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C(C(C(C(N1)CO)S)O)O |
