[1-[[5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate

Systemtic Name: [1-[[5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate Openeye Name: [1-[[[5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate CAS Name: (5E,8E,11E,14E)-eicosa-5,8,11,14-tetraenoic acid [1-[[5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-(1-oxohexadecoxy)propan-2-yl] ester IUPAC Name: [1-[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate Traditional Name: (5E,8E,11E,14E)-eicosa-5,8,11,14-tetraenoic acid [1-[[[5-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxymethyl]-2-hexadecanoyloxy-ethyl] ester Formula: C48H78FN2O13P MolecularWeight: 941.110684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)O)O)OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC

InChI

InChI=1S/C48H78FN2O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-43(53)63-39(36-60-42(52)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)37-61-65(58,59)62-38-41-44(54)45(55)47(64-41)51-35-40(49)46(56)50-48(51)57/h11,13,17-18,20,22,26,28,35,39,41,44-45,47,54-55H,3-10,12,14-16,19,21,23-25,27,29-34,36-38H2,1-2H3,(H,58,59)(H,50,56,57)/b13-11+,18-17+,22-20+,28-26+