DT3
Summary
| Name: | (2S,3S)-2,3-DIHYDROXY-4-SULFANYLBUTANE-1-SULFONATE |
| Formula: | C4 H9 O5 S2 |
| Formal charge: | -1 |
| Formula weight: | 201.241 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3S)-2,3-dihydroxy-4-sulfanylbutane-1-sulfonate |
| OpenEye OEToolkits | 1.5.0 | (2S,3S)-2,3-dihydroxy-4-sulfanyl-butane-1-sulfonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S([O-])(=O)CC(O)C(O)CS |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](CS)[C@H](O)C[S]([O-])(=O)=O |
| SMILES | CACTVS | 3.341 | O[CH](CS)[CH](O)C[S]([O-])(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@@H](CS(=O)(=O)[O-])O)O)S |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(CS(=O)(=O)[O-])O)O)S |
| InChI | InChI | 1.03 | InChI=1S/C4H10O5S2/c5-3(1-10)4(6)2-11(7,8)9/h3-6,10H,1-2H2,(H,7,8,9)/p-1/t3-,4-/m1/s1 |
| InChIKey | InChI | 1.03 | BJXWUWDPCVAQDI-QWWZWVQMSA-M |
