9WZ

2-hydroxy-4-(2-hydroxyethyl)phenyl beta-D-fructofuranoside

Created: 2017-07-21
Last modified:  2020-07-17

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count4
Bond Count43
Aromatic Bond Count6
2D diagram of 9WZ
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Chemical Component Summary

Name2-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
Systematic Name (OpenEye OEToolkits)(2~{S},3~{S},4~{S},5~{R})-2-[4-(2-hydroxyethyl)-2-oxidanyl-phenoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol
FormulaC14 H20 O8
Molecular Weight316.304
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385OCCc1ccc(O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)c(O)c1
SMILESOpenEye OEToolkits2.0.6c1cc(c(cc1CCO)O)OC2(C(C(C(O2)CO)O)O)CO
Canonical SMILESCACTVS3.385 OCCc1ccc(O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)c(O)c1
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc(c(cc1CCO)O)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO
InChIInChI1.03 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
InChIKeyInChI1.03 CNXXGYXVIZNKJW-YIYPIFLZSA-N

Related Resource References

Resource NameReference
PubChem 134828586