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

Systemtic Name: [(2R,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-[(4-methoxyphenyl)methoxymethyl]-3-oxidanyl-6-phenylmethoxy-oxan-4-yl]oxy-6-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-3-yl] ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-benzyloxy-5-hydroxy-6-[(4-methoxyphenyl)methoxymethyl]tetrahydropyran-4-yl]oxy-4,5-dibenzyloxy-6-(hydroxymethyl)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-2-[[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-[(4-methoxyphenyl)methoxymethyl]-6-phenylmethoxy-4-oxanyl]oxy]-6-(hydroxymethyl)-4,5-bis(phenylmethoxy)-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-[(4-methoxyphenyl)methoxymethyl]-6-phenylmethoxyoxan-4-yl]oxy-6-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-benzoxy-5-hydroxy-6-(p-anisyloxymethyl)tetrahydropyran-4-yl]oxy-4,5-dibenzoxy-6-methylol-tetrahydropyran-3-yl] ester Formula: C45H53NO13 MolecularWeight: 815.90122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)COCC3=CC=C(C=C3)OC)O)OC4C(C(C(C(O4)CO)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC2=CC=CC=C2)COCC3=CC=C(C=C3)OC)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C

InChI

InChI=1S/C45H53NO13/c1-29(48)46-38-41(39(50)37(28-52-24-34-19-21-35(51-3)22-20-34)58-44(38)55-27-33-17-11-6-12-18-33)59-45-43(56-30(2)49)42(54-26-32-15-9-5-10-16-32)40(36(23-47)57-45)53-25-31-13-7-4-8-14-31/h4-22,36-45,47,50H,23-28H2,1-3H3,(H,46,48)/t36-,37-,38-,39-,40-,41-,42+,43-,44-,45+/m1/s1