[(2R)-3-[1,3-bis[[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]propan-2-yloxy-oxidanyl-phosphoryl]oxy-2-hexadecoxy-propyl] hexadecanoate

Systemtic Name: [(2R)-3-[1,3-bis[[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]propan-2-yloxy-oxidanyl-phosphoryl]oxy-2-hexadecoxy-propyl] hexadecanoate Openeye Name: [(2R)-2-hexadecoxy-3-[hydroxy-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]ethoxy]phosphoryl]oxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-3-[1,3-bis[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxy-2-hexadecoxypropyl] ester IUPAC Name: [(2R)-3-[1,3-bis[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]propan-2-yloxy-hydroxyphosphoryl]oxy-2-hexadecoxypropyl] hexadecanoate Traditional Name: palmitic acid [(2R)-2-cetyloxy-3-[hydroxy-[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]ethoxy]phosphoryl]oxy-propyl] ester Formula: C50H97O19P MolecularWeight: 1033.267541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCO[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC(CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C50H97O19P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-62-38(34-63-42(53)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-66-70(60,61)69-39(35-64-49-47(58)45(56)43(54)40(32-51)67-49)36-65-50-48(59)46(57)44(55)41(33-52)68-50/h38-41,43-52,54-59H,3-37H2,1-2H3,(H,60,61)/t38-,40-,41-,43-,44-,45+,46+,47+,48+,49+,50+/m1/s1