methyl (2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-phenylmethoxy-oxan-2-yl]methoxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-phenylmethoxy-oxan-2-yl]methoxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2R,4S,5R,6R)-5-acetamido-4-acetoxy-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-benzyloxy-tetrahydropyran-2-yl]methoxy]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-phenylmethoxy-2-oxanyl]methoxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-phenylmethoxyoxan-2-yl]methoxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2R,4S,5R,6R)-5-acetamido-4-acetoxy-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-benzoxy-tetrahydropyran-2-yl]methoxy]-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C39H51NO21 MolecularWeight: 869.81634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C39H51NO21/c1-19(41)40-31-28(54-21(3)43)15-39(38(49)50-9,61-34(31)32(56-23(5)45)29(55-22(4)44)17-51-20(2)42)53-18-30-33(57-24(6)46)35(58-25(7)47)36(59-26(8)48)37(60-30)52-16-27-13-11-10-12-14-27/h10-14,28-37H,15-18H2,1-9H3,(H,40,41)/t28-,29+,30+,31+,32+,33+,34+,35-,36+,37+,39+/m0/s1