AIG
Summary
| Name: | hexyl 3-amino-3-deoxy-beta-D-galactopyranoside |
| Synonyms: | 4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL hexyl 3-amino-3-deoxy-beta-D-galactoside; hexyl 3-amino-3-deoxy-D-galactoside; hexyl 3-amino-3-deoxy-galactoside |
| Formula: | C12 H25 N O5 |
| Formal charge: | 0 |
| Formula weight: | 263.331 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | hexyl 3-amino-3-deoxy-beta-D-galactopyranoside |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4S,5R,6R)-4-amino-2-hexoxy-6-(hydroxymethyl)oxane-3,5-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(CCCCCC)C1OC(C(O)C(N)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1O |
| SMILES | CACTVS | 3.341 | CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](N)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCOC1C(C(C(C(O1)CO)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C12H25NO5/c1-2-3-4-5-6-17-12-11(16)9(13)10(15)8(7-14)18-12/h8-12,14-16H,2-7,13H2,1H3/t8-,9+,10+,11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | MSXUDXAZMKOOST-YBXAARCKSA-N |
