[(3S,4R,5S,6S)-5-acetamido-3-[(2S,3S,4R,5S)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,6-diacetyloxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(3S,4R,5S,6S)-5-acetamido-3-[(2S,3S,4R,5S)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,6-diacetyloxy-oxan-2-yl]methyl ethanoate Openeye Name: [(3S,4R,5S,6S)-5-acetamido-3-[(2S,3S,4R,5S)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-4,6-diacetoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(3S,4R,5S,6S)-5-acetamido-3-[[(2S,3S,4R,5S)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-4,6-diacetyloxy-2-oxanyl]methyl ester IUPAC Name: [(3S,4R,5S,6S)-5-acetamido-3-[(2S,3S,4R,5S)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,6-diacetyloxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(3S,4R,5S,6S)-5-acetamido-3-[(2S,3S,4R,5S)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-4,6-diacetoxy-tetrahydropyran-2-yl]methyl ester Formula: C28H40N2O17 MolecularWeight: 676.6204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@H]1[C@H]([C@@H](C(O[C@H]1O[C@H]2[C@@H]([C@@H]([C@@H](OC2COC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H40N2O17/c1-11(31)29-21-26(43-17(7)37)24(20(10-40-14(4)34)45-27(21)44-18(8)38)47-28-22(30-12(2)32)25(42-16(6)36)23(41-15(5)35)19(46-28)9-39-13(3)33/h19-28H,9-10H2,1-8H3,(H,29,31)(H,30,32)/t19?,20?,21-,22-,23+,24+,25+,26+,27+,28-/m0/s1