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145

Summary
Name:2-nitrophenyl beta-D-galactopyranoside
Synonyms:1-O-[O-NITROPHENYL]-BETA-D-GALACTOPYRANOSE
2-nitrophenyl beta-D-galactoside; 2-nitrophenyl D-galactoside; 2-nitrophenyl galactoside
Formula:C12 H15 N O8
Formal charge:0
Formula weight:301.249 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-nitrophenyl beta-D-galactopyranoside
OpenEye OEToolkits1.5.0(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenoxy)oxane-3,4,5-triol
PDB-CARE1.01-O-[O-nitrophenyl]-b-D-galactopyranose

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)c2c(OC1OC(C(O)C(O)C1O)CO)cccc2
SMILES_CANONICALCACTVS3.341OC[C@H]1O[C@@H](Oc2ccccc2[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O
SMILESCACTVS3.341OC[CH]1O[CH](Oc2ccccc2[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O
InChIInChI1.03InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1
InChIKeyInChI1.03KUWPCJHYPSUOFW-YBXAARCKSA-N

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PDB entries from 2024-07-10

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