[2-azanyloxy-6-methyl-3-oxidanyl-5-sulfooxy-3-(2-tetradecanoyloxytetradecanoyl)oxan-4-yl] tetradecanoate

Systemtic Name: [2-azanyloxy-6-methyl-3-oxidanyl-5-sulfooxy-3-(2-tetradecanoyloxytetradecanoyl)oxan-4-yl] tetradecanoate Openeye Name: [2-aminooxy-3-hydroxy-6-methyl-5-sulfooxy-3-(2-tetradecanoyloxytetradecanoyl)tetrahydropyran-4-yl] tetradecanoate CAS Name: tetradecanoic acid [2-aminooxy-3-hydroxy-6-methyl-3-[1-oxo-2-(1-oxotetradecoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-3-hydroxy-6-methyl-5-sulfooxy-3-(2-tetradecanoyloxytetradecanoyl)oxan-4-yl] tetradecanoate Traditional Name: myristic acid [2-aminooxy-3-hydroxy-6-methyl-5-sulfoxy-3-(2-tetradecanoyloxytetradecanoyl)tetrahydropyran-4-yl] ester Formula: C48H91NO12S MolecularWeight: 906.30064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1(C(=O)C(CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O)ON)C)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1(C(=O)C(CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O)ON)C)OS(=O)(=O)O

InChI

InChI=1S/C48H91NO12S/c1-5-8-11-14-17-20-23-26-29-32-35-38-42(50)58-41(37-34-31-28-25-22-19-16-13-10-7-3)45(52)48(53)46(44(61-62(54,55)56)40(4)57-47(48)60-49)59-43(51)39-36-33-30-27-24-21-18-15-12-9-6-2/h40-41,44,46-47,53H,5-39,49H2,1-4H3,(H,54,55,56)