disodium [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethylphosphonic acid

Systemtic Name: disodium [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethylphosphonic acid Openeye Name: disodium [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxymethylphosphonic acid CAS Name: disodium [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]oxymethylphosphonic acid IUPAC Name: disodium [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid Traditional Name: disodium (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)oxymethylphosphonic acid Formula: C10H14N5Na2O7P+2 MolecularWeight: 393.200761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N5O7P.2Na/c11-7-4-8(13-1-12-7)15(2-14-4)9-5(16)6(17)10(22-9)21-3-23(18,19)20;;/h1-2,5-6,9-10,16-17H,3H2,(H2,11,12,13)(H2,18,19,20);;/q;2*+1