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PNW

Summary
Name:4-nitrophenyl beta-D-glucopyranoside
Synonyms:4'-NITROPHENYL-BETA-D-GLUCOPYRANOSIDE
4-nitrophenyl beta-D-glucoside; 4-nitrophenyl D-glucoside; 4-nitrophenyl glucoside
Formula:C12 H15 N O8
Formal charge:0
Formula weight:301.249 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-nitrophenyl beta-D-glucopyranoside
OpenEye OEToolkits1.7.0(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
PDB-CARE1.04'-nitrophenyl-b-D-glucopyranoside

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)cc2
SMILES_CANONICALCACTVS3.370OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.370OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
SMILESOpenEye OEToolkits1.7.0c1cc(ccc1[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)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
InChIKeyInChI1.03IFBHRQDFSNCLOZ-RMPHRYRLSA-N

222415

PDB entries from 2024-07-10

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