tetrasodium (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolane-3,4-diolate

Systemtic Name: tetrasodium (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolane-3,4-diolate Openeye Name: tetrasodium (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3,4-diolate CAS Name: tetrasodium (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolane-3,4-diolate IUPAC Name: tetrasodium (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolane-3,4-diolate Traditional Name: tetrasodium (2R,3R,4S,5R)-2-adenin-9-yl-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3,4-diolate Formula: C20H28N10Na4O26P6 MolecularWeight: 1102.289366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[O-])[O-].C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/2C10H14N5O13P3.4Na/c2*11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;;;/h2*2-4,6-7,10H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;;;/q2*-2;4*+1/t2*4-,6-,7-,10-;;;;/m11..../s1