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Obsolete: FFC

Summary
Name:2-DEOXY-2-FLUORO-B-D-CELLOBIOSIDE
Formula:C12 H21 F O10
Formal charge:0
Formula weight:344.288 Da
Component type:saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-alpha-D-glucopyranose
OpenEye OEToolkits1.5.0(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6S)-5-fluoro-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2O)CO
SMILES_CANONICALCACTVS3.341OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](F)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.341OC[CH]1O[CH](O[CH]2[CH](O)[CH](F)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)F)O)CO)O)O)O)O
SMILESOpenEye OEToolkits1.5.0C(C1C(C(C(C(O1)OC2C(OC(C(C2O)F)O)CO)O)O)O)O
InChIInChI1.03InChI=1S/C12H21FO10/c13-5-7(17)10(4(2-15)21-11(5)20)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11+,12+/m1/s1
InChIKeyInChI1.03CHZBROHNUFSPPZ-FINXQLPQSA-N

218500

PDB entries from 2024-04-17

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