(2S,3R,4S,5R)-2-[(3R,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoranyl-4-oxidanyl-oxan-3-yl]oxyoxane-3,4,5-triol

Systemtic Name: (2S,3R,4S,5R)-2-[(3R,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoranyl-4-oxidanyl-oxan-3-yl]oxyoxane-3,4,5-triol Openeye Name: (2S,3R,4S,5R)-2-[(3R,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxy-tetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4S,5R)-2-[[(3R,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxy-3-oxanyl]oxy]oxane-3,4,5-triol IUPAC Name: (2S,3R,4S,5R)-2-[(3R,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxyoxan-3-yl]oxyoxane-3,4,5-triol Traditional Name: (2S,3R,4S,5R)-2-[(3R,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxy-tetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol Formula: C16H19FN2O12 MolecularWeight: 450.326663

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)OC2COC(C(C2O)F)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])O)O)O

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)F)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])O)O)O

InChI

InChI=1S/C16H19FN2O12/c17-11-13(22)10(31-16-14(23)12(21)8(20)4-28-16)5-29-15(11)30-9-2-1-6(18(24)25)3-7(9)19(26)27/h1-3,8,10-16,20-23H,4-5H2/t8-,10-,11-,12+,13+,14-,15+,16+/m1/s1