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

Systemtic Name: [1-[[[3-azido-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-octadecylsulfanyl-propan-2-yl] hexadecanoate; sodium Openeye Name: [1-[[[[3-azido-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-2-octadecylsulfanyl-ethyl] hexadecanoate; sodium CAS Name: hexadecanoic acid [1-[[[3-azido-5-(2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-(octadecylthio)propan-2-yl] ester; sodium IUPAC Name: [1-[[[3-azido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-octadecylsulfanylpropan-2-yl] hexadecanoate; sodium Traditional Name: palmitic acid [1-[[[[3-azido-5-(2,4-diketopyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-2-(stearylthio)ethyl] ester; sodium Formula: C46H85N5NaO12P2S MolecularWeight: 1017.195692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H85N5O12P2S.Na/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35-66-39-40(61-45(53)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2)37-59-64(55,56)63-65(57,58)60-38-42-41(49-50-47)36-44(62-42)51-34-33-43(52)48-46(51)54;/h33-34,40-42,44H,3-32,35-39H2,1-2H3,(H,55,56)(H,57,58)(H,48,52,54);