8EX
Summary
| Name: | 2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose |
| Synonyms: | [(2R,3R,4R,5R,6R)-5-acetamido-4,6-bis(oxidanyl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate N-acetyl-4-sulfo-6-sulfo-beta-D-galactopyranose; 2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactose; 2-acetamido-2-deoxy-4,6-di-O-sulfo-D-galactose; 2-acetamido-2-deoxy-4,6-di-O-sulfo-galactose |
| Formula: | C8 H15 N O12 S2 |
| Formal charge: | 0 |
| Formula weight: | 381.334 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-4,6-bis(oxidanyl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate |
| GMML | 1.0 | DGalpNAc[4S,6S]b |
| GMML | 1.0 | N-acetyl-4-sulfo-6-sulfo-b-D-galactopyranose |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO12S2/c1-3(10)9-5-6(11)7(21-23(16,17)18)4(20-8(5)12)2-19-22(13,14)15/h4-8,11-12H,2H2,1H3,(H,9,10)(H,13,14,15)(H,16,17,18)/t4-,5-,6-,7+,8-/m1/s1 |
| InChIKey | InChI | 1.03 | KWDXXNWKTRGMDM-UIAUGNHASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@H]1[C@H](O)O[C@H](CO[S](O)(=O)=O)[C@H](O[S](O)(=O)=O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)OS(=O)(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OS(=O)(=O)O)O |
