[1-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (E)-octadec-9-enoate

Systemtic Name: [1-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (E)-octadec-9-enoate Openeye Name: [1-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [1-[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-(1-oxohexadecoxy)propan-2-yl] ester IUPAC Name: [1-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [1-[[[5-(4-amino-2-keto-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] ester Formula: C46H82N3O10P MolecularWeight: 868.131141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC1CCC(O1)N2C=CC(=NC2=O)N)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC1CCC(O1)N2C=CC(=NC2=O)N)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C46H82N3O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-45(51)59-41(37-55-44(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)39-57-60(53,54)56-38-40-33-34-43(58-40)49-36-35-42(47)48-46(49)52/h17-18,35-36,40-41,43H,3-16,19-34,37-39H2,1-2H3,(H,53,54)(H2,47,48,52)/b18-17+