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

Systemtic Name: 5-acetamido-2-hexadecoxy-4-oxidanyl-6-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: 5-acetamido-2-hexadecoxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: 5-acetamido-2-hexadecoxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: 5-acetamido-2-hexadecoxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Traditional Name: 5-acetamido-2-cetyloxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C27H51NO9 MolecularWeight: 533.69514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1(CC(C(C(O1)C(C(CO)O)O)NC(=O)C)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1(CC(C(C(O1)[C@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O

InChI

InChI=1S/C27H51NO9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-36-27(26(34)35)18-21(31)23(28-20(2)30)25(37-27)24(33)22(32)19-29/h21-25,29,31-33H,3-19H2,1-2H3,(H,28,30)(H,34,35)/t21?,22-,23?,24+,25?,27?/m1/s1