[1-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-octadecylsulfanyl-propan-2-yl] hexadecanoate

Systemtic Name: [1-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-octadecylsulfanyl-propan-2-yl] hexadecanoate Openeye Name: [1-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxymethyl]-2-octadecylsulfanyl-ethyl] hexadecanoate CAS Name: hexadecanoic acid [1-[[5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-4-methoxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-(octadecylthio)propan-2-yl] ester IUPAC Name: [1-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-octadecylsulfanylpropan-2-yl] hexadecanoate Traditional Name: palmitic acid [1-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxymethyl]-2-(stearylthio)ethyl] ester Formula: C47H88N3O10PS MolecularWeight: 918.254481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)OC)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)OC)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C47H88N3O10PS/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-36-62-39-40(59-43(51)33-31-29-27-25-23-21-17-15-13-11-9-7-5-2)37-57-61(54,55)58-38-41-44(52)45(56-3)46(60-41)50-35-34-42(48)49-47(50)53/h34-35,40-41,44-46,52H,4-33,36-39H2,1-3H3,(H,54,55)(H2,48,49,53)