[[(3aS,4R,6R,6aS)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl] [[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate

Systemtic Name: [[(3aS,4R,6R,6aS)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl] [[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate Openeye Name: [[(3aS,4R,6R,6aS)-2-benzyl-4-(2,4-dioxopyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphoryl] [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate CAS Name: [[(3aS,4R,6R,6aS)-4-(2,4-dioxo-1-pyrimidinyl)-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] hydrogen phosphate IUPAC Name: [[(3aS,4R,6R,6aS)-2-benzyl-4-(2,4-dioxopyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate Traditional Name: [[(3aS,4R,6R,6aS)-2-benzyl-4-(2,4-diketopyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphoryl] [[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate Formula: C26H32N5O19P3 MolecularWeight: 811.475663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2OC3C(OC(C3O2)N4C=CC(=O)NC4=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)N6C=CC(=NC6=O)N)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2O[C@H]3[C@H](O[C@H]([C@H]3O2)N4C=CC(=O)NC4=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=CC(=NC6=O)N)O)O

InChI

InChI=1S/C26H32N5O19P3/c27-16-6-8-30(25(35)28-16)23-20(34)19(33)14(45-23)11-43-51(37,38)49-53(41,42)50-52(39,40)44-12-15-21-22(24(46-15)31-9-7-17(32)29-26(31)36)48-18(47-21)10-13-4-2-1-3-5-13/h1-9,14-15,18-24,33-34H,10-12H2,(H,37,38)(H,39,40)(H,41,42)(H2,27,28,35)(H,29,32,36)/t14-,15-,18?,19-,20-,21+,22+,23-,24-/m1/s1