AD7
Summary
| Name: | octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside |
| Synonyms: | 2-deoxy-Fuc-3-amino-Gal-H-antigen disaccharide amino-deoxy-acceptor |
| Formula: | C20 H39 N O8 |
| Formal charge: | 0 |
| Formula weight: | 421.526 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside |
| OpenEye OEToolkits | 1.5.0 | (2S,3S,4S,6S)-6-[(2R,3R,4S,5R,6R)-4-amino-5-hydroxy-6-(hydroxymethyl)-2-octoxy-oxan-3-yl]oxy-2-methyl-oxane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O(CCCCCCCC)C2OC(C(O)C(N)C2OC1OC(C)C(O)C(O)C1)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2 |
| SMILES | CACTVS | 3.341 | CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](N)[CH]1O[CH]2C[CH](O)[CH](O)[CH](C)O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCOC1C(C(C(C(O1)CO)O)N)OC2CC(C(C(O2)C)O)O |
| InChI | InChI | 1.03 | InChI=1S/C20H39NO8/c1-3-4-5-6-7-8-9-26-20-19(16(21)18(25)14(11-22)28-20)29-15-10-13(23)17(24)12(2)27-15/h12-20,22-25H,3-11,21H2,1-2H3/t12-,13-,14+,15-,16-,17+,18-,19+,20+/m0/s1 |
| InChIKey | InChI | 1.03 | GHTLMVRROQXELT-HTYYFBMYSA-N |
