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56N

Summary
Name:phenyl beta-D-galactopyranoside
Synonyms:phenyl beta-D-galactoside
phenyl D-galactoside; phenyl galactoside
Formula:C12 H16 O6
Formal charge:0
Formula weight:256.252 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.01phenyl beta-D-galactopyranoside
OpenEye OEToolkits1.9.2(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-phenoxy-oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC1C(OC(C(O)C1O)CO)Oc2ccccc2
InChIInChI1.03InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12-/m1/s1
InChIKeyInChI1.03NEZJDVYDSZTRFS-YBXAARCKSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
SMILESCACTVS3.385OC[CH]1O[CH](Oc2ccccc2)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O

222415

PDB entries from 2024-07-10

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