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OTU

Summary
Name:3-O-alpha-D-glucopyranosyl-D-fructose
Synonyms:3-O-alpha-D-glucosyl-D-fructose
3-O-D-glucosyl-D-fructose; 3-O-glucosyl-D-fructose
Formula:C12 H22 O11
Formal charge:0
Formula weight:342.296 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-O-alpha-D-glucopyranosyl-D-fructose
OpenEye OEToolkits1.7.2(3S,4R,5R)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,4,5,6-tetrakis(oxidanyl)hexan-2-on e

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)CO)CO
InChIInChI1.03InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1
InChIKeyInChI1.03RULSWEULPANCDV-PIXUTMIVSA-N
SMILES_CANONICALCACTVS3.370OC[C@@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)CO
SMILESCACTVS3.370OC[CH](O)[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)C(=O)CO
SMILES_CANONICALOpenEye OEToolkits1.7.2C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O
SMILESOpenEye OEToolkits1.7.2C(C1C(C(C(C(O1)OC(C(C(CO)O)O)C(=O)CO)O)O)O)O

227344

PDB entries from 2024-11-13

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