(2S,4S,5R,6R)-5-acetamido-2-[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]ethoxy]-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: (2S,4S,5R,6R)-5-acetamido-2-[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]ethoxy]-4-oxidanyl-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2S,4S,5R,6R)-5-acetamido-2-[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]ethoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-[2-[2-[2-(1-oxohexadecylamino)ethoxy]ethoxy]ethoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2S,4S,5R,6R)-5-acetamido-2-[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]ethoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Traditional Name: (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-[2-[2-(2-palmitamidoethoxy)ethoxy]ethoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C33H62N2O12 MolecularWeight: 678.85158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOC1(CC(C(C(O1)C(C(CO)O)O)NC(=O)C)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCCOCCOCCO[C@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O

InChI

InChI=1S/C33H62N2O12/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28(40)34-17-18-44-19-20-45-21-22-46-33(32(42)43)23-26(38)29(35-25(2)37)31(47-33)30(41)27(39)24-36/h26-27,29-31,36,38-39,41H,3-24H2,1-2H3,(H,34,40)(H,35,37)(H,42,43)/t26-,27+,29+,30+,31+,33-/m0/s1