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

Systemtic Name: [(2R)-3-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-methylidene-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [(2R)-3-[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-4-methylene-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-3-[[5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-4-methylene-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2R)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methylideneoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [(2R)-3-[[5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-4-methylene-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C45H80N3O11P MolecularWeight: 870.103961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC1C(C(=C)C(O1)N2C=CC(=NC2=O)N)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C45H80N3O11P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-41(49)55-34-38(58-42(50)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)35-56-60(53,54)57-36-39-43(51)37(3)44(59-39)48-33-32-40(46)47-45(48)52/h32-33,38-39,43-44,51H,3-31,34-36H2,1-2H3,(H,53,54)(H2,46,47,52)/t38-,39?,43?,44?/m1/s1