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

Systemtic Name: [[(3aR,4R,6R,6aR)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-phenethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl] [[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate Openeye Name: [[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2-phenethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate CAS Name: [[(3aR,4R,6R,6aR)-4-(2,4-dioxo-1-pyrimidinyl)-2-phenethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate IUPAC Name: [[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2-phenethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate Traditional Name: [[(3aR,4R,6R,6aR)-4-(2,4-diketopyrimidin-1-yl)-2-phenethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate Formula: C27H34N4O23P4 MolecularWeight: 906.466904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2OC3C(OC(C3O2)N4C=CC(=O)NC4=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)N6C=CC(=O)NC6=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2O[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)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=CC(=O)NC6=O)O)O

InChI

InChI=1S/C27H34N4O23P4/c32-17-8-10-30(26(36)28-17)24-21(35)20(34)15(48-24)12-46-55(38,39)52-57(42,43)54-58(44,45)53-56(40,41)47-13-16-22-23(25(49-16)31-11-9-18(33)29-27(31)37)51-19(50-22)7-6-14-4-2-1-3-5-14/h1-5,8-11,15-16,19-25,34-35H,6-7,12-13H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,28,32,36)(H,29,33,37)/t15-,16-,19?,20-,21-,22-,23-,24-,25-/m1/s1