20-[5-acetamido-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]-2-decyl-icosanoic acid

Systemtic Name: 20-[5-acetamido-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]-2-decyl-icosanoic acid Openeye Name: 20-[5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-decyl-icosanoic acid CAS Name: 20-[5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-decyleicosanoic acid IUPAC Name: 20-[5-acetamido-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-decylicosanoic acid Traditional Name: 20-(5-acetamido-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl)-2-decyl-arachidic acid Formula: C38H73NO7 MolecularWeight: 655.98872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCCCCCCCCCCCCC1C(C(C(C(O1)CO)NC(=O)C)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCCCCCCCCCCCCC1C(C(C(C(O1)CO)NC(=O)C)O)O)C(=O)O

InChI

InChI=1S/C38H73NO7/c1-3-4-5-6-7-18-21-24-27-32(38(44)45)28-25-22-19-16-14-12-10-8-9-11-13-15-17-20-23-26-29-33-36(42)37(43)35(39-31(2)41)34(30-40)46-33/h32-37,40,42-43H,3-30H2,1-2H3,(H,39,41)(H,44,45)