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Y9Y

Summary
Name:paranitrophenyl-alpha-L-galactopyranoside
Synonyms:(2~{S},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
Formula:C12 H15 N O8
Formal charge:0
Formula weight:301.249 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
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+/m0/s1
InChIKeyInChI1.03IFBHRQDFSNCLOZ-MTVMDMGHSA-N
SMILES_CANONICALCACTVS3.385OC[C@@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@@H](O)[C@H](O)[C@@H]1O
SMILESCACTVS3.385OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O

222415

PDB entries from 2024-07-10

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