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U0X

Summary
Name:(2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol
Formula:C12 H20 F2 O9
Formal charge:0
Formula weight:346.279 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C12H20F2O9/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-12,15-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9+,10-,11-,12-/m1/s1
InChIKeyInChI1.06CZAGHLGJQHEHTN-YDHPHUQESA-N
SMILES_CANONICALCACTVS3.385O[C@@H]1[C@H](O)[C@@H](CF)O[C@H](O[C@H]2O[C@H](CF)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
SMILESCACTVS3.385O[CH]1[CH](O)[CH](CF)O[CH](O[CH]2O[CH](CF)[CH](O)[CH](O)[CH]2O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits2.0.7C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CF)O)O)O)O)O)O)F
SMILESOpenEye OEToolkits2.0.7C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CF)O)O)O)O)O)O)F

221051

PDB entries from 2024-06-12

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