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07Y

Summary
Name:(2S,3R,4R,5R)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-diol
Formula:C11 H13 N O7
Formal charge:0
Formula weight:271.223 Da
Component type:saccharide

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11-/m0/s1
InChIKeyInChI1.03DUYYBTBDYZXISX-MMWGEVLESA-N
SMILES_CANONICALCACTVS3.385OC[C@@H]1O[C@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@H]1O
SMILESCACTVS3.385OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1[N+](=O)[O-])OC2C(C(C(O2)CO)O)O

222415

PDB entries from 2024-07-10

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