[3-[[(2S,3S,5R)-3-azido-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [3-[[(2S,3S,5R)-3-azido-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [3-[[(2S,3S,5R)-3-azido-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[[(2S,3S,5R)-3-azido-5-(2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-[[(2S,3S,5R)-3-azido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [3-[[(2S,3S,5R)-3-azido-5-(2,4-diketopyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C44H78N5O11P MolecularWeight: 884.090781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC1C(CC(O1)N2C=CC(=O)NC2=O)N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C44H78N5O11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-42(51)56-34-37(59-43(52)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-57-61(54,55)58-36-39-38(47-48-45)33-41(60-39)49-32-31-40(50)46-44(49)53/h31-32,37-39,41H,3-30,33-36H2,1-2H3,(H,54,55)(H,46,50,53)/t37?,38-,39+,41+/m0/s1