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NFG

Summary
Name:2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside
Synonyms:2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucoside
2,4-dinitrophenyl 2-deoxy-2-fluoro-D-glucoside; 2,4-dinitrophenyl 2-deoxy-2-fluoro-glucoside
Formula:C12 H13 F N2 O9
Formal charge:0
Formula weight:348.238 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs10.042,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside
OpenEye OEToolkits1.5.0(2R,3S,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-2-(hydroxymethyl)oxane-3,4-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1F)CO)c([N+]([O-])=O)c2
SMILES_CANONICALCACTVS3.341OC[C@H]1O[C@@H](Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)[C@H](F)[C@@H](O)[C@@H]1O
SMILESCACTVS3.341OC[CH]1O[CH](Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)[CH](F)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)F
InChIInChI1.03InChI=1S/C12H13FN2O9/c13-9-11(18)10(17)8(4-16)24-12(9)23-7-2-1-5(14(19)20)3-6(7)15(21)22/h1-3,8-12,16-18H,4H2/t8-,9-,10-,11-,12-/m1/s1
InChIKeyInChI1.03UFSBFVZQJZMIOU-LZQZFOIKSA-N

223790

数据于2024-08-14公开中

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