[[(2S,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2S,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2S,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2S,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2S,5R)-5-(6-aminopurin-9-yl)-4-[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2S,5R)-5-adenin-9-yl-4-[[(2S,4R,5R)-5-adenin-9-yl-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C20H28N10O17P4 MolecularWeight: 804.388164

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)COP(=O)(O)OC4CC(OC4N5C=NC6=C5N=CN=C6N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=CN=C3N)COP(=O)(O)OC4C[C@H](O[C@H]4N5C=NC6=C5N=CN=C6N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C20H28N10O17P4/c21-15-13-17(25-5-23-15)29(7-27-13)19-11(31)1-9(43-19)3-41-49(35,36)45-12-2-10(4-42-50(37,38)47-51(39,40)46-48(32,33)34)44-20(12)30-8-28-14-16(22)24-6-26-18(14)30/h5-12,19-20,31H,1-4H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)(H2,32,33,34)/t9-,10-,11+,12?,19+,20+/m0/s1