[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl] hydrogen phosphate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphinothioyl] hydrogen phosphate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl] hydrogen phosphate CAS Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxy-2-oxolanyl]methoxy-hydroxyphosphinothioyl] hydrogen phosphate IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] hydrogen phosphate Traditional Name: [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2R,3R,4R,5R)-5-adenin-9-yl-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-thiophosphoryl] hydrogen phosphate Formula: C21H28N10O12P2S MolecularWeight: 706.519342

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=S)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)O

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)COP(=S)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O

InChI

InChI=1S/C21H28N10O12P2S/c1-38-15-13(33)9(42-21(15)31-7-29-11-17(23)25-5-27-19(11)31)3-40-45(37,46)43-44(35,36)39-2-8-12(32)14(34)20(41-8)30-6-28-10-16(22)24-4-26-18(10)30/h4-9,12-15,20-21,32-34H,2-3H2,1H3,(H,35,36)(H,37,46)(H2,22,24,26)(H2,23,25,27)/t8-,9-,12-,13-,14-,15-,20-,21-,45?/m1/s1