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

Systemtic Name: [3-[(2-icosanoyloxy-3-octadecanoyloxy-propoxy)-oxidanidyl-phosphoryl]oxy-2,4-bis(oxidanyl)cyclohexyl] phosphate Openeye Name: [2,4-dihydroxy-3-[(2-icosanoyloxy-3-octadecanoyloxy-propoxy)-oxido-phosphoryl]oxy-cyclohexyl] phosphate CAS Name: [2,4-dihydroxy-3-[oxido-[2-(1-oxoeicosoxy)-3-(1-oxooctadecoxy)propoxy]phosphoryl]oxycyclohexyl] phosphate IUPAC Name: [2,4-dihydroxy-3-[(2-icosanoyloxy-3-octadecanoyloxypropoxy)-oxidophosphoryl]oxycyclohexyl] phosphate Traditional Name: [3-[(2-eicosanoyloxy-3-stearoyloxy-propoxy)-oxido-phosphoryl]oxy-2,4-dihydroxy-cyclohexyl] phosphate Formula: C47H89O14P2-3 MolecularWeight: 940.148682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H92O14P2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-45(50)59-41(40-58-63(55,56)61-47-42(48)37-38-43(46(47)51)60-62(52,53)54)39-57-44(49)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h41-43,46-48,51H,3-40H2,1-2H3,(H,55,56)(H2,52,53,54)/p-3