disodium [[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[oxidanidyl(oxidanyl)phosphoryl]oxy-phosphoryl] hydrogen phosphate

Systemtic Name: disodium [[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[oxidanidyl(oxidanyl)phosphoryl]oxy-phosphoryl] hydrogen phosphate Openeye Name: disodium [[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[hydroxy(oxido)phosphoryl]oxy-phosphoryl] hydrogen phosphate CAS Name: disodium [[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate IUPAC Name: disodium [[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate Traditional Name: disodium [[(2R,3S,4R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[hydroxy(oxido)phosphoryl]oxy-phosphoryl] hydrogen phosphate Formula: C10H14N5Na2O13P3 MolecularWeight: 551.144683

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(OP(=O)(O)[O-])OP(=O)(O)[O-])O)O.[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3[C@@H]([C@@H]([C@H](O3)COP(=O)(OP(=O)(O)[O-])OP(=O)(O)[O-])O)O.[Na+].[Na+]

InChI

InChI=1S/C10H16N5O13P3.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-31(24,27-29(18,19)20)28-30(21,22)23;;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)(H2,21,22,23);;/q;2*+1/p-2/t4-,6-,7-,10?;;/m1../s1