[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hexadecane-1-sulfonate

Systemtic Name: [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hexadecane-1-sulfonate Openeye Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hexadecane-1-sulfonate CAS Name: 1-hexadecanesulfonic acid IUPAC Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hexadecane-1-sulfonate Traditional Name: hexadecane-1-sulfonic acid [[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester Formula: C25H45N2O11PS MolecularWeight: 612.670361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O

InChI

InChI=1S/C25H45N2O11PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-40(34,35)38-39(32,33)36-19-20-22(29)23(30)24(37-20)27-17-16-21(28)26-25(27)31/h16-17,20,22-24,29-30H,2-15,18-19H2,1H3,(H,32,33)(H,26,28,31)/t20-,22-,23-,24-/m1/s1