[2,3,4,5,6-pentakis(fluoranyl)phenyl] (2S,3R)-3-[(2S,3R,4R,5R,6R)-3-azido-6-(hydroxymethyl)-5-oxidanyl-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate

Systemtic Name: [2,3,4,5,6-pentakis(fluoranyl)phenyl] (2S,3R)-3-[(2S,3R,4R,5R,6R)-3-azido-6-(hydroxymethyl)-5-oxidanyl-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate Openeye Name: (2,3,4,5,6-pentafluorophenyl) (2S,3R)-3-[(2S,3R,4R,5R,6R)-3-azido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate CAS Name: (2S,3R)-3-[[(2S,3R,4R,5R,6R)-3-azido-5-hydroxy-6-(hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]butanoic acid (2,3,4,5,6-pentafluorophenyl) ester IUPAC Name: (2,3,4,5,6-pentafluorophenyl) (2S,3R)-3-[(2S,3R,4R,5R,6R)-3-azido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate Traditional Name: (2S,3R)-3-[(2S,3R,4R,5R,6R)-3-azido-5-hydroxy-6-methylol-4-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butyric acid (2,3,4,5,6-pentafluorophenyl) ester Formula: C45H45F5N4O18 MolecularWeight: 1024.846816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-]

Isomeric SMILES

C[C@H]([C@@H](C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-]

InChI

InChI=1S/C45H45F5N4O18/c1-17(34(42(61)71-38-32(49)30(47)29(46)31(48)33(38)50)52-45(62)64-15-26-24-12-8-6-10-22(24)23-11-7-9-13-25(23)26)65-43-35(53-54-51)39(36(60)27(14-55)69-43)72-44-41(68-21(5)59)40(67-20(4)58)37(66-19(3)57)28(70-44)16-63-18(2)56/h6-13,17,26-28,34-37,39-41,43-44,55,60H,14-16H2,1-5H3,(H,52,62)/t17-,27-,28-,34+,35-,36+,37+,39-,40+,41-,43+,44+/m1/s1