[(3S,4S,5S,6R)-6-[(3S,4R,5S,6S)-5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-oxan-4-yl]oxy-3,4,5-triacetyloxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(3S,4S,5S,6R)-6-[(3S,4R,5S,6S)-5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-oxan-4-yl]oxy-3,4,5-triacetyloxy-oxan-2-yl]methyl ethanoate Openeye Name: [(3S,4S,5S,6R)-6-[(2S,3S,4R,5S)-3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(3S,4S,5S,6R)-6-[[(3S,4R,5S,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxy-4-oxanyl]oxy]-3,4,5-triacetyloxy-2-oxanyl]methyl ester IUPAC Name: [(3S,4S,5S,6R)-6-[(3S,4R,5S,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(3S,4S,5S,6R)-6-[(2S,3S,4R,5S)-3-acetamido-2-benzoxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl]oxy-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl ester Formula: C29H39NO15 MolecularWeight: 641.61766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@H]1[C@H]([C@@H](C(O[C@@H]1OCC2=CC=CC=C2)CO)O)O[C@H]3[C@H]([C@H]([C@H](C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C29H39NO15/c1-14(32)30-22-25(23(37)20(11-31)43-28(22)39-12-19-9-7-6-8-10-19)45-29-27(42-18(5)36)26(41-17(4)35)24(40-16(3)34)21(44-29)13-38-15(2)33/h6-10,20-29,31,37H,11-13H2,1-5H3,(H,30,32)/t20?,21?,22-,23+,24-,25+,26-,27-,28-,29-/m0/s1