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Summary
Name:1-O-alpha-D-glucopyranosyl-D-fructose
Synonyms:1-O-alpha-D-glucosyl-D-fructose
1-O-D-glucosyl-D-fructose; 1-O-glucosyl-D-fructose
Formula:C12 H22 O11
Formal charge:0
Formula weight:342.296 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-O-alpha-D-glucopyranosyl-D-fructose
OpenEye OEToolkits1.7.6(3S,4R,5R)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5,6-tetrakis(oxidanyl)hexan-2-on e

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)CO
InChIInChI1.03InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4,6-15,17-21H,1-3H2/t4-,6-,7-,8-,9-,10+,11-,12+/m1/s1
InChIKeyInChI1.03NMELTECMHKKXLF-DGQJZECASA-N
SMILES_CANONICALCACTVS3.370OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
SMILESCACTVS3.370OC[CH](O)[CH](O)[CH](O)C(=O)CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O
SMILESOpenEye OEToolkits1.7.6C(C1C(C(C(C(O1)OCC(=O)C(C(C(CO)O)O)O)O)O)O)O

221051

PDB entries from 2024-06-12

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