[2-hexadecanoyloxy-3-[6-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxyhexoxy-oxidanyl-phosphoryl]oxy-propyl] hexadecanoate

Systemtic Name: [2-hexadecanoyloxy-3-[6-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxyhexoxy-oxidanyl-phosphoryl]oxy-propyl] hexadecanoate Openeye Name: [3-[6-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyhexoxy-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]hexoxy-hydroxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-[6-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyhexoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [3-[6-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-methylol-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyhexoxy-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C53H101O19P MolecularWeight: 1073.331401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C53H101O19P/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-44(56)66-39-41(69-45(57)34-30-26-24-22-20-18-16-14-12-10-8-6-4-2)40-68-73(63,64)67-36-32-28-27-31-35-65-52-50(62)48(60)51(43(38-55)71-52)72-53-49(61)47(59)46(58)42(37-54)70-53/h41-43,46-55,58-62H,3-40H2,1-2H3,(H,63,64)/t41?,42-,43-,46+,47+,48-,49-,50-,51-,52-,53+/m1/s1