Summary
| Name: | ACETYLGALACTOSAMINE-4-SULFATE |
| Formula: | C8 H15 N O9 S |
| Formal charge: | 0 |
| Formula weight: | 301.271 Da |
| Component type: | SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(acetylamino)-2-deoxy-4-O-sulfo-beta-D-galactopyranose |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)OC1C(OC(O)C(NC(=O)C)C1O)CO |
| InChI | InChI | 1.02b | InChI=1/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8-/m1/s1/f/h9,14H |
| InChIKey | InChI | 1.02b | WHCJUIFHMJFEFZ-QUMDZLEQDD |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O[S](O)(=O)=O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[S](O)(=O)=O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)NC1C(C(C(OC1O)CO)OS(=O)(=O)O)O |
