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

Systemtic Name: [1-[[[(2S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-methyl-3-octadecylsulfanyl-propan-2-yl] hexadecanoate Openeye Name: [1-[[[[(2S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-1-methyl-2-octadecylsulfanyl-ethyl] hexadecanoate CAS Name: hexadecanoic acid [1-[[[(2S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-methyl-3-(octadecylthio)propan-2-yl] ester IUPAC Name: [1-[[[(2S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-methyl-3-octadecylsulfanylpropan-2-yl] hexadecanoate Traditional Name: palmitic acid [1-[[[[(2S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-1-methyl-2-(stearylthio)ethyl] ester Formula: C48H89N5O12P2S MolecularWeight: 1022.259082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(C)(COP(=O)(O)OP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1C(C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C48H89N5O12P2S/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-68-40-48(4,64-45(54)34-32-30-28-26-24-22-18-16-14-12-10-8-6-2)39-62-67(59,60)65-66(57,58)61-38-43-42(51-52-49)36-44(63-43)53-37-41(3)46(55)50-47(53)56/h37,42-44H,5-36,38-40H2,1-4H3,(H,57,58)(H,59,60)(H,50,55,56)/t42?,43-,44-,48?/m1/s1