[(2R,3R,4R,5R,6R)-5-acetamido-6-octoxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] methanesulfonate

Systemtic Name: [(2R,3R,4R,5R,6R)-5-acetamido-6-octoxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] methanesulfonate Openeye Name: [(2R,3R,4R,5R,6R)-5-acetamido-4-benzyloxy-2-(benzyloxymethyl)-6-octoxy-tetrahydropyran-3-yl] methanesulfonate CAS Name: methanesulfonic acid [(2R,3R,4R,5R,6R)-5-acetamido-6-octoxy-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R,6R)-5-acetamido-6-octoxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(2R,3R,4R,5R,6R)-5-acetamido-4-benzoxy-2-(benzoxymethyl)-6-octoxy-tetrahydropyran-3-yl] ester Formula: C31H45NO8S MolecularWeight: 591.7559

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)COCC2=CC=CC=C2)OS(=O)(=O)C)OCC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OS(=O)(=O)C)OCC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C31H45NO8S/c1-4-5-6-7-8-15-20-37-31-28(32-24(2)33)30(38-22-26-18-13-10-14-19-26)29(40-41(3,34)35)27(39-31)23-36-21-25-16-11-9-12-17-25/h9-14,16-19,27-31H,4-8,15,20-23H2,1-3H3,(H,32,33)/t27-,28-,29+,30-,31-/m1/s1