[(2S)-2-hexadecanoyloxy-3-[[(1S,2R,3S,4S,5R,6R)-3-oxidanyl-4,5-bis(phenylmethoxy)-2,6-bis(phenylmethoxymethoxy)cyclohexyl]oxy-phenylmethoxy-phosphoryl]oxy-propyl] hexadecanoate

Systemtic Name: [(2S)-2-hexadecanoyloxy-3-[[(1S,2R,3S,4S,5R,6R)-3-oxidanyl-4,5-bis(phenylmethoxy)-2,6-bis(phenylmethoxymethoxy)cyclohexyl]oxy-phenylmethoxy-phosphoryl]oxy-propyl] hexadecanoate Openeye Name: [(2S)-3-[benzyloxy-[(1S,2R,3R,4S,5S,6R)-3,4-dibenzyloxy-2,6-bis(benzyloxymethoxy)-5-hydroxy-cyclohexoxy]phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2S)-3-[[(1S,2R,3S,4S,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-2,6-bis(phenylmethoxymethoxy)cyclohexyl]oxy-phenylmethoxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2S)-2-hexadecanoyloxy-3-[[(1S,2R,3S,4S,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-2,6-bis(phenylmethoxymethoxy)cyclohexyl]oxy-phenylmethoxyphosphoryl]oxypropyl] hexadecanoate Traditional Name: palmitic acid [(2S)-3-[benzoxy-[(1S,2R,3R,4S,5S,6R)-3,4-dibenzoxy-2,6-bis(benzoxymethoxy)-5-hydroxy-cyclohexoxy]phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C78H113O15P MolecularWeight: 1321.696581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC1=CC=CC=C1)OC2C(C(C(C(C2OCOCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O)OCOCC6=CC=CC=C6)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(OCC1=CC=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@H]2OCOCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O)OCOCC6=CC=CC=C6)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C78H113O15P/c1-3-5-7-9-11-13-15-17-19-21-23-25-42-54-71(79)85-61-70(92-72(80)55-43-26-24-22-20-18-16-14-12-10-8-6-4-2)62-91-94(82,90-60-69-52-40-31-41-53-69)93-78-75(88-63-83-56-65-44-32-27-33-45-65)73(81)74(86-58-67-48-36-29-37-49-67)76(87-59-68-50-38-30-39-51-68)77(78)89-64-84-57-66-46-34-28-35-47-66/h27-41,44-53,70,73-78,81H,3-26,42-43,54-64H2,1-2H3/t70-,73-,74-,75+,76+,77+,78-,94?/m0/s1