[(2R)-2-hexadecanoyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-propyl] hexadecanoate

Systemtic Name: [(2R)-2-hexadecanoyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanyl-propyl] hexadecanoate Openeye Name: [(2R)-2-hexadecanoyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-2-(1-oxohexadecoxy)-3-[[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]propyl] ester IUPAC Name: [(2R)-2-hexadecanoyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpropyl] hexadecanoate Traditional Name: palmitic acid [(2R)-2-hexadecanoyloxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]propyl] ester Formula: C49H86O13S MolecularWeight: 915.26434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CSC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C49H86O13S/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44(54)57-35-42(61-45(55)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)37-63-49-48(60-41(6)53)47(59-40(5)52)46(58-39(4)51)43(62-49)36-56-38(3)50/h42-43,46-49H,7-37H2,1-6H3/t42-,43-,46+,47+,48-,49+/m1/s1