KBA
Summary
| Name: | 2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactopyranoside |
| Synonyms: | (2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-[2-(1,2,3-triazol-1-yl)ethoxy]oxane-3,4,5-triol 2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactoside; 2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-L-galactoside; 2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-galactoside |
| Formula: | C10 H17 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 259.259 Da |
| Component type: | L-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-[2-(1,2,3-triazol-1-yl)ethoxy]oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H17N3O5/c1-6-7(14)8(15)9(16)10(18-6)17-5-4-13-3-2-11-12-13/h2-3,6-10,14-16H,4-5H2,1H3/t6-,7+,8+,9-,10+/m0/s1 |
| InChIKey | InChI | 1.03 | AQLGVIQGWAYMPY-LOLPMWEVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1O[C@@H](OCCn2ccnn2)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | C[CH]1O[CH](OCCn2ccnn2)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCCn2ccnn2)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1C(C(C(C(O1)OCCn2ccnn2)O)O)O |
