DGS
Summary
| Name: | 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose |
| Synonyms: | 3,6-ANHYDRO-D-GALACTOSE-2-SULFATE 3,6-anhydro-2-O-sulfo-alpha-D-galactose; 3,6-anhydro-2-O-sulfo-D-galactose; 3,6-anhydro-2-O-sulfo-galactose |
| Formula: | C6 H10 O8 S |
| Formal charge: | 0 |
| Formula weight: | 242.204 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose |
| OpenEye OEToolkits | 1.6.1 | [(1S,2R,3S,5R,8S)-3,8-dihydroxy-4,7-dioxabicyclo[3.2.1]octan-2-yl] hydrogen sulfate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=S(=O)(O)OC1C2OCC(OC1O)C2O |
| SMILES_CANONICAL | CACTVS | 3.352 | O[C@H]1O[C@@H]2CO[C@@H]([C@H]2O)[C@H]1O[S](O)(=O)=O |
| SMILES | CACTVS | 3.352 | O[CH]1O[CH]2CO[CH]([CH]2O)[CH]1O[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)OS(=O)(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1C2C(C(O1)C(C(O2)O)OS(=O)(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10O8S/c7-3-2-1-12-4(3)5(6(8)13-2)14-15(9,10)11/h2-8H,1H2,(H,9,10,11)/t2-,3+,4+,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | BBGPRYFPTZDJIZ-PHYPRBDBSA-N |
