[3-[(2-icosanoyloxy-3-octadecanoyloxy-propoxy)-oxidanidyl-phosphoryl]oxy-2,4-bis(oxidanyl)-6-phosphonatooxy-cyclohexyl] phosphate

Systemtic Name: [3-[(2-icosanoyloxy-3-octadecanoyloxy-propoxy)-oxidanidyl-phosphoryl]oxy-2,4-bis(oxidanyl)-6-phosphonatooxy-cyclohexyl] phosphate Openeye Name: [2,4-dihydroxy-3-[(2-icosanoyloxy-3-octadecanoyloxy-propoxy)-oxido-phosphoryl]oxy-6-phosphonatooxy-cyclohexyl] phosphate CAS Name: [2,4-dihydroxy-3-[oxido-[2-(1-oxoeicosoxy)-3-(1-oxooctadecoxy)propoxy]phosphoryl]oxy-6-phosphonatooxycyclohexyl] phosphate IUPAC Name: [2,4-dihydroxy-3-[(2-icosanoyloxy-3-octadecanoyloxypropoxy)-oxidophosphoryl]oxy-6-phosphonatooxycyclohexyl] phosphate Traditional Name: [3-[(2-eicosanoyloxy-3-stearoyloxy-propoxy)-oxido-phosphoryl]oxy-2,4-dihydroxy-6-phosphato-cyclohexyl] phosphate Formula: C47H88O18P3-5 MolecularWeight: 1034.112103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OC1C(CC(C(C1O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OC1C(CC(C(C1O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O

InChI

InChI=1S/C47H93O18P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(50)62-40(38-60-43(49)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)39-61-68(58,59)65-46-41(48)37-42(63-66(52,53)54)47(45(46)51)64-67(55,56)57/h40-42,45-48,51H,3-39H2,1-2H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/p-5