propan-2-yl (2S,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6S)-5-acetyloxy-2-[[(2S,3S,4R)-3-acetyloxy-2-(iodanylmethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]-6-(iodanylmethyl)-3-phenylsulfanyl-oxan-4-yl]oxy-5-iodanyl-2,4-dimethyl-4-oxidanyl-oxane-3-carboxylate

Systemtic Name: propan-2-yl (2S,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6S)-5-acetyloxy-2-[[(2S,3S,4R)-3-acetyloxy-2-(iodanylmethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]-6-(iodanylmethyl)-3-phenylsulfanyl-oxan-4-yl]oxy-5-iodanyl-2,4-dimethyl-4-oxidanyl-oxane-3-carboxylate Openeye Name: isopropyl (2S,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6S)-5-acetoxy-2-[[(2S,3S,4R)-3-acetoxy-2-(iodomethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]-6-(iodomethyl)-3-phenylsulfanyl-tetrahydropyran-4-yl]oxy-4-hydroxy-5-iodo-2,4-dimethyl-tetrahydropyran-3-carboxylate CAS Name: (2S,3S,4R,5R,6S)-6-[[(2R,3R,4S,5S,6S)-5-acetyloxy-2-[[(2S,3S,4R)-3-acetyloxy-2-(iodomethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]-6-(iodomethyl)-3-(phenylthio)-4-oxanyl]oxy]-4-hydroxy-5-iodo-2,4-dimethyl-3-oxanecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6S)-5-acetyloxy-2-[[(2S,3S,4R)-3-acetyloxy-2-(iodomethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]-6-(iodomethyl)-3-phenylsulfanyloxan-4-yl]oxy-4-hydroxy-5-iodo-2,4-dimethyloxane-3-carboxylate Traditional Name: (2S,3S,4R,5R,6S)-6-[(2R,3R,4S,5S,6S)-5-acetoxy-2-[[(2S,3S,4R)-3-acetoxy-2-(iodomethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]-6-(iodomethyl)-3-(phenylthio)tetrahydropyran-4-yl]oxy-4-hydroxy-5-iodo-2,4-dimethyl-tetrahydropyran-3-carboxylic acid isopropyl ester Formula: C33H43I3O12S MolecularWeight: 1044.46573

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2SC3=CC=CC=C3)OC4C=COC(C4OC(=O)C)CI)CI)OC(=O)C)I)(C)O)C(=O)OC(C)C

Isomeric SMILES

C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2SC3=CC=CC=C3)O[C@@H]4C=CO[C@@H]([C@H]4OC(=O)C)CI)CI)OC(=O)C)I)(C)O)C(=O)OC(C)C

InChI

InChI=1S/C33H43I3O12S/c1-16(2)42-30(39)24-17(3)43-32(29(36)33(24,6)40)48-27-26(45-19(5)38)23(15-35)47-31(28(27)49-20-10-8-7-9-11-20)46-21-12-13-41-22(14-34)25(21)44-18(4)37/h7-13,16-17,21-29,31-32,40H,14-15H2,1-6H3/t17-,21+,22+,23+,24+,25-,26+,27-,28+,29-,31+,32-,33+/m0/s1