(2S,3R,4R,5R)-4-[2-(5-fluoranyl-2,4-dinitro-phenyl)-3-[(2R,4R,5S)-1,2,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-propoxy]-2,3,5,6-tetrakis(oxidanyl)hexanal

Systemtic Name: (2S,3R,4R,5R)-4-[2-(5-fluoranyl-2,4-dinitro-phenyl)-3-[(2R,4R,5S)-1,2,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-propoxy]-2,3,5,6-tetrakis(oxidanyl)hexanal Openeye Name: (2S,3R,4R,5R)-4-[3-[(2R,3S)-1-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxy-4-oxo-butoxy]-2-(5-fluoro-2,4-dinitro-phenyl)propoxy]-2,3,5,6-tetrahydroxy-hexanal CAS Name: (2S,3R,4R,5R)-4-[2-(5-fluoro-2,4-dinitrophenyl)-3-[(2R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxypropoxy]-2,3,5,6-tetrahydroxyhexanal IUPAC Name: (2S,3R,4R,5R)-4-[2-(5-fluoro-2,4-dinitrophenyl)-3-[(2R,4R,5S)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxypropoxy]-2,3,5,6-tetrahydroxyhexanal Traditional Name: (2S,3R,4R,5R)-4-[3-[(2R,3S)-1-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxy-4-keto-butoxy]-2-(5-fluoro-2,4-dinitro-phenyl)propoxy]-2,3,5,6-tetrahydroxy-hexanal Formula: C21H29FN2O16 MolecularWeight: 584.457163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1F)[N+](=O)[O-])[N+](=O)[O-])C(COC(C(CO)O)C(C(C=O)O)O)COC(C(CO)O)C(C(C=O)O)O

Isomeric SMILES

C1=C(C(=CC(=C1F)[N+](=O)[O-])[N+](=O)[O-])C(CO[C@H]([C@@H](CO)O)[C@@H]([C@@H](C=O)O)O)COC([C@@H](CO)O)[C@@H]([C@@H](C=O)O)O

InChI

InChI=1S/C21H29FN2O16/c22-11-1-10(12(23(35)36)2-13(11)24(37)38)9(7-39-20(16(31)5-27)18(33)14(29)3-25)8-40-21(17(32)6-28)19(34)15(30)4-26/h1-4,9,14-21,27-34H,5-8H2/t9?,14-,15-,16-,17-,18-,19-,20-,21?/m1/s1