[2-[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-[(2S,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]ethyl] phosphono hydrogen phosphate

Systemtic Name: [2-[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-[(2S,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]ethyl] phosphono hydrogen phosphate Openeye Name: [2-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1-[(2S,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]ethyl] phosphono hydrogen phosphate CAS Name: [2-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]-1-[(2S,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]ethyl] phosphono hydrogen phosphate IUPAC Name: [2-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]-1-[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethyl] phosphono hydrogen phosphate Traditional Name: [2-[(2R,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1-[(2S,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]ethyl] phosphono hydrogen phosphate Formula: C19H26N8O14P2 MolecularWeight: 652.402462

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=NC2=O)N)C(CC3C(C(C(O3)N4C=NC5=C4NC(=NC5=O)N)O)O)OP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)C(C[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4NC(=NC5=O)N)O)O)OP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C19H26N8O14P2/c20-9-1-2-26(19(32)23-9)10-3-6(28)14(39-10)8(40-43(36,37)41-42(33,34)35)4-7-12(29)13(30)17(38-7)27-5-22-11-15(27)24-18(21)25-16(11)31/h1-2,5-8,10,12-14,17,28-30H,3-4H2,(H,36,37)(H2,20,23,32)(H2,33,34,35)(H3,21,24,25,31)/t6-,7+,8?,10+,12+,13+,14-,17+/m0/s1