9WZ
Summary
| Name: | 2-hydroxy-4-(2-hydroxyethyl)phenyl beta-D-fructofuranoside |
| Synonyms: | (2~{S},3~{S},4~{S},5~{R})-2-[4-(2-hydroxyethyl)-2-oxidanyl-phenoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol 2-hydroxy-4-(2-hydroxyethyl)phenyl beta-D-fructoside; 2-hydroxy-4-(2-hydroxyethyl)phenyl D-fructoside; 2-hydroxy-4-(2-hydroxyethyl)phenyl fructoside |
| Formula: | C14 H20 O8 |
| Formal charge: | 0 |
| Formula weight: | 316.304 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S},3~{S},4~{S},5~{R})-2-[4-(2-hydroxyethyl)-2-oxidanyl-phenoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H20O8/c15-4-3-8-1-2-10(9(18)5-8)21-14(7-17)13(20)12(19)11(6-16)22-14/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1 |
| InChIKey | InChI | 1.03 | CNXXGYXVIZNKJW-YIYPIFLZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCc1ccc(O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)c(O)c1 |
| SMILES | CACTVS | 3.385 | OCCc1ccc(O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1CCO)O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1CCO)O)OC2(C(C(C(O2)CO)O)O)CO |
