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

Systemtic Name: 20-[5-azanyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]-2-decyl-icosanoic acid Openeye Name: 20-[5-amino-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-decyl-icosanoic acid CAS Name: 20-[5-amino-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-decyleicosanoic acid IUPAC Name: 20-[5-amino-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-decylicosanoic acid Traditional Name: 20-(5-amino-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl)-2-decyl-arachidic acid Formula: C36H71NO6 MolecularWeight: 613.95204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H71NO6/c1-2-3-4-5-6-17-20-23-26-30(36(41)42)27-24-21-18-15-13-11-9-7-8-10-12-14-16-19-22-25-28-31-34(39)35(40)33(37)32(29-38)43-31/h30-35,38-40H,2-29,37H2,1H3,(H,41,42)