[(2R,3R,4S,5S,6R)-2-fluoranyl-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxy-oxan-3-yl] benzoate

Systemtic Name: [(2R,3R,4S,5S,6R)-2-fluoranyl-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxy-oxan-3-yl] benzoate Openeye Name: [(2R,3R,4S,5S,6R)-2-fluoro-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4S,5S,6R)-2-fluoro-6-methyl-5-(methylamino)-4-[[(2S,3R,4S,5R)-3,4,5-triacetyloxy-2-oxanyl]oxy]-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5S,6R)-2-fluoro-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4S,5S,6R)-2-fluoro-6-methyl-5-(methylamino)-4-[(2S,3R,4S,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] ester Formula: C25H32FNO11 MolecularWeight: 541.520083

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)F)OC(=O)C2=CC=CC=C2)OC3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)NC

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)F)OC(=O)C2=CC=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)OC(=O)C)OC(=O)C)OC(=O)C)NC

InChI

InChI=1S/C25H32FNO11/c1-12-18(27-5)20(21(23(26)33-12)37-24(31)16-9-7-6-8-10-16)38-25-22(36-15(4)30)19(35-14(3)29)17(11-32-25)34-13(2)28/h6-10,12,17-23,25,27H,11H2,1-5H3/t12-,17-,18+,19+,20+,21-,22-,23+,25+/m1/s1