[(2R,3R,4S,5R,6R)-3-[3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropoxy]-6-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[3-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxan-3-yl]oxypropoxy]oxan-2-yl]methoxy]-4,5-diacetyloxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3-[3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropoxy]-6-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[3-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-[2,2,2-tris(chloranyl)ethanimidoyloxy]oxan-3-yl]oxypropoxy]oxan-2-yl]methoxy]-4,5-diacetyloxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-3-[3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxypropoxy]-6-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetoxy-6-[3-[(2R,3R,4S,5R,6R)-4,5-diacetoxy-2-(acetoxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxy-tetrahydropyran-3-yl]oxypropoxy]tetrahydropyran-2-yl]methoxy]-4,5-diacetoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3-[3-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]propoxy]-6-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[3-[[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-(2,2,2-trichloro-1-iminoethoxy)-3-oxanyl]oxy]propoxy]-2-oxanyl]methoxy]-4,5-diacetyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3-[3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropoxy]-6-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[3-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl]oxypropoxy]oxan-2-yl]methoxy]-4,5-diacetyloxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-3-[3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxypropoxy]-6-[[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetoxy-6-[3-[(2R,3R,4S,5R,6R)-4,5-diacetoxy-2-(acetoxymethyl)-6-(2,2,2-trichloroacetimidoyl)oxy-tetrahydropyran-3-yl]oxypropoxy]tetrahydropyran-2-yl]methoxy]-4,5-diacetoxy-tetrahydropyran-2-yl]methyl ester Formula: C58H82Cl3N3O34 MolecularWeight: 1471.63038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OCCCOC2C(OC(C(C2OC(=O)C)OC(=O)C)OC(=N)C(Cl)(Cl)Cl)COC(=O)C)COC3C(C(C(C(O3)COC(=O)C)OCCCOC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCCO[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=N)C(Cl)(Cl)Cl)COC(=O)C)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OCCCO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C58H82Cl3N3O34/c1-24(65)63-41-47(88-31(8)72)45(86-29(6)70)39(22-84-28(5)69)94-53(41)80-18-14-16-78-43-37(20-82-26(3)67)96-55(51(92-35(12)76)49(43)90-33(10)74)85-23-40-46(87-30(7)71)48(89-32(9)73)42(64-25(2)66)54(95-40)81-19-15-17-79-44-38(21-83-27(4)68)97-56(98-57(62)58(59,60)61)52(93-36(13)77)50(44)91-34(11)75/h37-56,62H,14-23H2,1-13H3,(H,63,65)(H,64,66)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49+,50+,51-,52-,53-,54-,55-,56-/m1/s1