tert-butyl (2S,3S,4S,5R,6R)-3-acetyloxy-4-[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxy-6-[2,2,2-tris(chloranyl)ethanimidoyloxy]-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl]oxy-oxane-2-carboxylate

Systemtic Name: tert-butyl (2S,3S,4S,5R,6R)-3-acetyloxy-4-[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxy-6-[2,2,2-tris(chloranyl)ethanimidoyloxy]-5-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl]oxy-oxane-2-carboxylate Openeye Name: tert-butyl (2S,3S,4S,5R,6R)-3-acetoxy-4-[(2S,3R,4S,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]oxy-6-(2,2,2-trichloroethanimidoyl)oxy-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6R)-3-acetyloxy-4-[[(2S,3R,4S,5R)-3,4,5-triacetyloxy-2-oxanyl]oxy]-5-[[(2S,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)-2-oxanyl]oxy]-6-(2,2,2-trichloro-1-iminoethoxy)-2-oxanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S,4S,5R,6R)-3-acetyloxy-4-[(2S,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxy-6-(2,2,2-trichloroethanimidoyl)oxyoxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6R)-3-acetoxy-4-[(2S,3R,4S,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl]oxy-6-(2,2,2-trichloroacetimidoyl)oxy-tetrahydropyran-2-carboxylic acid tert-butyl ester Formula: C59H60Cl3NO24 MolecularWeight: 1273.459

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)OC2C(C(OC(C2OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=N)C(Cl)(Cl)Cl)C(=O)OC(C)(C)C)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=N)C(Cl)(Cl)Cl)C(=O)OC(C)(C)C)OC(=O)C

InChI

InChI=1S/C59H60Cl3NO24/c1-30(64)75-38-29-74-54(46(78-33(4)67)41(38)76-31(2)65)83-44-43(77-32(3)66)45(53(72)87-58(5,6)7)84-56(86-57(63)59(60,61)62)48(44)85-55-47(82-52(71)37-26-18-11-19-27-37)42(81-51(70)36-24-16-10-17-25-36)40(80-50(69)35-22-14-9-15-23-35)39(79-55)28-73-49(68)34-20-12-8-13-21-34/h8-27,38-48,54-56,63H,28-29H2,1-7H3/t38-,39-,40+,41+,42+,43+,44+,45+,46-,47-,48-,54+,55+,56-/m1/s1