[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-chloranyl-4-(phenylcarbonyloxy)-2-(phenylcarbonyloxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-chloranyl-4-(phenylcarbonyloxy)-2-(phenylcarbonyloxymethyl)oxan-3-yl]oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-4-benzoyloxy-2-(benzoyloxymethyl)-6-chloro-tetrahydropyran-3-yl]oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6S)-6-[[(2R,3S,4R,5R,6R)-5-acetamido-4-benzoyloxy-2-(benzoyloxymethyl)-6-chloro-3-oxanyl]oxy]-3,4,5-tribenzoyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-4-benzoyloxy-2-(benzoyloxymethyl)-6-chlorooxan-3-yl]oxy-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-4-benzoyloxy-2-(benzoyloxymethyl)-6-chloro-tetrahydropyran-3-yl]oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C56H48ClNO16 MolecularWeight: 1026.43042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1Cl)COC(=O)C2=CC=CC=C2)OC3C(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(=O)C8=CC=CC=C8

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Cl)COC(=O)C2=CC=CC=C2)O[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(=O)C8=CC=CC=C8

InChI

InChI=1S/C56H48ClNO16/c1-34(59)58-43-46(71-53(63)38-26-14-5-15-27-38)44(41(68-49(43)57)32-66-50(60)35-20-8-2-9-21-35)74-56-48(73-55(65)40-30-18-7-19-31-40)47(72-54(64)39-28-16-6-17-29-39)45(70-52(62)37-24-12-4-13-25-37)42(69-56)33-67-51(61)36-22-10-3-11-23-36/h2-31,41-49,56H,32-33H2,1H3,(H,58,59)/t41-,42-,43-,44-,45+,46-,47+,48-,49+,56+/m1/s1