[(2R,3R,4R,5R)-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-5-[2-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-3-[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]-2-phosphonooxy-propyl]-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [(2R,3R,4R,5R)-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-5-[2-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]-3-[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]-2-phosphonooxy-propyl]-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate Openeye Name: [1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]-1-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methyl]ethyl] dihydrogen phosphate CAS Name: [2-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]-1,3-bis[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-4-phosphonooxy-2-oxolanyl]propan-2-yl] dihydrogen phosphate IUPAC Name: [2-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-1,3-bis[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]propan-2-yl] dihydrogen phosphate Traditional Name: [1-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-[(2R,3R,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]-1-[[(2R,3R,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methyl]ethyl] dihydrogen phosphate Formula: C27H35N6O25P3 MolecularWeight: 936.513283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)NC1=O)C2C(C(C(O2)C(CC3C(C(C(O3)N4C=CC(=O)NC4=O)OP(=O)(O)O)O)(CC5C(C(C(O5)N6C=CC(=O)NC6=O)OP(=O)(O)O)O)OP(=O)(O)O)O)O

Isomeric SMILES

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(C[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)OP(=O)(O)O)O)(C[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=CC(=O)NC6=O)OP(=O)(O)O)O)OP(=O)(O)O)O)O

InChI

InChI=1S/C27H35N6O25P3/c34-11-1-4-31(24(41)28-11)21-17(40)16(39)20(55-21)27(58-61(50,51)52,7-9-14(37)18(56-59(44,45)46)22(53-9)32-5-2-12(35)29-25(32)42)8-10-15(38)19(57-60(47,48)49)23(54-10)33-6-3-13(36)30-26(33)43/h1-6,9-10,14-23,37-40H,7-8H2,(H,28,34,41)(H,29,35,42)(H,30,36,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)/t9-,10-,14-,15-,16+,17-,18-,19-,20+,21-,22-,23-/m1/s1