[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(3R,4S,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl] phosphate; tetrabutylazanium

Systemtic Name: [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(3R,4S,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl] phosphate; tetrabutylazanium Openeye Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(3R,4S,5S)-3,4,5-tribenzyloxytetrahydropyran-2-yl] phosphate; tetrabutylammonium CAS Name: [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] [(3R,4S,5S)-3,4,5-tris(phenylmethoxy)-2-oxanyl] phosphate; tetrabutylammonium IUPAC Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(3R,4S,5S)-3,4,5-tris(phenylmethoxy)oxan-2-yl] phosphate; tetrabutylazanium Traditional Name: [[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(3R,4S,5S)-3,4,5-tribenzoxytetrahydropyran-2-yl] phosphate; tetrabutylammonium Formula: C67H110N4O16P2 MolecularWeight: 1289.555022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1C(C(C(C(O1)OP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1[C@@H]([C@@H]([C@H](C(O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C35H40N2O16P2.2C16H36N/c38-28-16-17-37(35(41)36-28)33-30(40)29(39)26(51-33)22-50-54(42,43)53-55(44,45)52-34-32(48-20-25-14-8-3-9-15-25)31(47-19-24-12-6-2-7-13-24)27(21-49-34)46-18-23-10-4-1-5-11-23;2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-17,26-27,29-34,39-40H,18-22H2,(H,42,43)(H,44,45)(H,36,38,41);2*5-16H2,1-4H3/q;2*+1/p-2/t26-,27+,29-,30-,31+,32-,33-,34?;;/m1../s1