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

Systemtic Name: [3-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-cyano-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [3-[[5-(4-amino-2-oxo-pyrimidin-1-yl)-4-cyano-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[[5-(4-amino-2-oxo-1-pyrimidinyl)-4-cyano-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-[[5-(4-amino-2-oxopyrimidin-1-yl)-4-cyano-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [3-[[5-(4-amino-2-keto-pyrimidin-1-yl)-4-cyano-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C45H79N4O11P MolecularWeight: 883.102721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)C#N)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)C#N)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C45H79N4O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-41(50)56-34-37(59-42(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-57-61(54,55)58-36-39-43(52)38(33-46)44(60-39)49-32-31-40(47)48-45(49)53/h31-32,37-39,43-44,52H,3-30,34-36H2,1-2H3,(H,54,55)(H2,47,48,53)