3-(11-ethyl-1-sulfanyl-icosan-9-yl)oxypropyl [(2R,3S,5R)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: 3-(11-ethyl-1-sulfanyl-icosan-9-yl)oxypropyl [(2R,3S,5R)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate Openeye Name: 3-[3-ethyl-1-(8-sulfanyloctyl)dodecoxy]propyl [(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: 3-(11-ethyl-1-mercaptoeicosan-9-yl)oxypropyl [(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: 3-(11-ethyl-1-sulfanylicosan-9-yl)oxypropyl [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate Traditional Name: 3-[3-ethyl-1-(8-mercaptooctyl)dodecoxy]propyl [(2R,3S,5R)-5-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C34H62FN2O9PS MolecularWeight: 724.901244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC)CC(CCCCCCCCS)OCCCOP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O

Isomeric SMILES

CCCCCCCCCC(CC)CC(CCCCCCCCS)OCCCOP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)O

InChI

InChI=1S/C34H62FN2O9PS/c1-3-5-6-7-8-11-14-18-27(4-2)23-28(19-15-12-9-10-13-16-22-48)43-20-17-21-44-47(41,42)45-26-31-30(38)24-32(46-31)37-25-29(35)33(39)36-34(37)40/h25,27-28,30-32,38,48H,3-24,26H2,1-2H3,(H,41,42)(H,36,39,40)/t27?,28?,30-,31+,32+/m0/s1