GAT
Summary
| Name: | 4-aminophenyl alpha-D-galactopyranoside |
| Synonyms: | 4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDE P-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDE; 4-aminophenyl alpha-D-galactoside; 4-aminophenyl D-galactoside; 4-aminophenyl galactoside |
| Formula: | C12 H17 N O6 |
| Formal charge: | 0 |
| Formula weight: | 271.266 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-aminophenyl alpha-D-galactopyranoside |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4S,5R,6R)-2-(4-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
| PDB-CARE | 1.0 | p-aminophenyl-a-D-galactopyranoside |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(c1ccc(N)cc1)C2OC(C(O)C(O)C2O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |
| SMILES | CACTVS | 3.341 | Nc1ccc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1N)OC2C(C(C(C(O2)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | MIAKOEWBCMPCQR-IIRVCBMXSA-N |
