BQY
Summary
| Name: | 2-methoxyphenyl beta-D-galactopyranoside |
| Synonyms: | o-methoxyphenyl beta-galactoside OMPG; 2-methoxyphenyl beta-D-galactoside; 2-methoxyphenyl D-galactoside; 2-methoxyphenyl galactoside |
| Formula: | C13 H18 O7 |
| Formal charge: | 0 |
| Formula weight: | 286.278 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methoxyphenyl beta-D-galactopyranoside |
| OpenEye OEToolkits | 2.0.6 | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc(c(OC1C(O)C(O)C(C(CO)O1)O)cc2)OC |
| InChI | InChI | 1.03 | InChI=1S/C13H18O7/c1-18-7-4-2-3-5-8(7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10+,11+,12-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | WBZPEZUBVIAKKS-KSSYENDESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O |
| SMILES | CACTVS | 3.385 | COc1ccccc1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccccc1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccccc1OC2C(C(C(C(O2)CO)O)O)O |
