methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-(1-oxidanylpentyl)-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-(1-oxidanylpentyl)-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetoxy-2-(1-hydroxypentyl)-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-(1-hydroxypentyl)-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-(1-hydroxypentyl)-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-5-acetamido-4-acetoxy-2-(1-hydroxypentyl)-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C25H39NO13 MolecularWeight: 561.57606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1(CC(C(C(O1)C(C(COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)O

Isomeric SMILES

CCCCC([C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)O

InChI

InChI=1S/C25H39NO13/c1-8-9-10-20(32)25(24(33)34-7)11-18(36-15(4)29)21(26-13(2)27)23(39-25)22(38-17(6)31)19(37-16(5)30)12-35-14(3)28/h18-23,32H,8-12H2,1-7H3,(H,26,27)/t18-,19+,20?,21+,22+,23+,25-/m0/s1