96O
Summary
| Name: | (1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannopyranoside |
| Synonyms: | (1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannoside (1-methyl-1H-1,2,3-triazol-4-yl)methyl D-mannoside; (1-methyl-1H-1,2,3-triazol-4-yl)methyl mannoside |
| Formula: | C10 H17 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 275.258 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1-methyl-1H-1,2,3-triazol-4-yl)methyl alpha-D-mannopyranoside |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{S},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1-methyl-1,2,3-triazol-4-yl)methoxy]oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2(C(C(C(OCc1nnn(C)c1)OC2CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H17N3O6/c1-13-2-5(11-12-13)4-18-10-9(17)8(16)7(15)6(3-14)19-10/h2,6-10,14-17H,3-4H2,1H3/t6-,7-,8+,9+,10+/m1/s1 |
| InChIKey | InChI | 1.03 | GTGCGDYGALMCDQ-ZJDVBMNYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)nn1 |
| SMILES | CACTVS | 3.385 | Cn1cc(CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(nn1)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(nn1)COC2C(C(C(C(O2)CO)O)O)O |
