disodium [5-(6-azanylpurin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethylphosphonic acid

Systemtic Name: disodium [5-(6-azanylpurin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethylphosphonic acid Openeye Name: disodium [5-(6-aminopurin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxymethylphosphonic acid CAS Name: disodium [5-(6-amino-1-purinyl)-3,4-dihydroxy-2-oxolanyl]oxymethylphosphonic acid IUPAC Name: disodium [5-(6-aminopurin-1-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid Traditional Name: disodium [5-(6-aminopurin-1-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(N(C=NC2=N1)C3C(C(C(O3)OCP(=O)(O)O)O)O)N.[Na+].[Na+]

Isomeric SMILES

C1=NC2=C(N(C=NC2=N1)C3C(C(C(O3)OCP(=O)(O)O)O)O)N.[Na+].[Na+]

InChI

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