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

Systemtic Name: [(2S,3R,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]oxy-4-acetyloxy-2-methyl-5-phenylmethoxy-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl]oxy-4-acetoxy-5-benzyloxy-2-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4R,5S,6S)-6-[[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxy-4-oxanyl]oxy]-4-acetyloxy-2-methyl-5-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-4-acetyloxy-2-methyl-5-phenylmethoxyoxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4R,5S,6S)-6-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-2-methoxy-6-methylol-tetrahydropyran-4-yl]oxy-4-acetoxy-5-benzoxy-2-methyl-tetrahydropyran-3-yl] ester Formula: C26H37NO12 MolecularWeight: 555.57148

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2O)CO)OC)NC(=O)C)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)CO)OC)NC(=O)C)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C

InChI

InChI=1S/C26H37NO12/c1-13-21(36-15(3)30)23(37-16(4)31)24(34-12-17-9-7-6-8-10-17)26(35-13)39-22-19(27-14(2)29)25(33-5)38-18(11-28)20(22)32/h6-10,13,18-26,28,32H,11-12H2,1-5H3,(H,27,29)/t13-,18+,19+,20+,21+,22+,23+,24-,25-,26-/m0/s1