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

Systemtic Name: disodium [2-(6-azanylpurin-1-yl)-4-oxidanyl-oxolan-2-yl]oxymethylphosphonic acid Openeye Name: disodium [2-(6-aminopurin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]oxymethylphosphonic acid CAS Name: disodium [2-(6-amino-1-purinyl)-4-hydroxy-2-oxolanyl]oxymethylphosphonic acid IUPAC Name: disodium [2-(6-aminopurin-1-yl)-4-hydroxyoxolan-2-yl]oxymethylphosphonic acid Traditional Name: disodium [2-(6-aminopurin-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]oxymethylphosphonic acid Formula: C10H14N5Na2O6P+2 MolecularWeight: 377.201361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(COC1(N2C=NC3=NC=NC3=C2N)OCP(=O)(O)O)O.[Na+].[Na+]

Isomeric SMILES

C1C(COC1(N2C=NC3=NC=NC3=C2N)OCP(=O)(O)O)O.[Na+].[Na+]

InChI

InChI=1S/C10H14N5O6P.2Na/c11-8-7-9(13-3-12-7)14-4-15(8)10(1-6(16)2-20-10)21-5-22(17,18)19;;/h3-4,6,16H,1-2,5,11H2,(H2,17,18,19);;/q;2*+1