1-(6-aminopurin-9-yl)propan-2-yloxymethylphosphonic acid; phosphoric acid

Systemtic Name: 1-(6-aminopurin-9-yl)propan-2-yloxymethylphosphonic acid; phosphoric acid Openeye Name: [2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methylphosphonic acid; phosphoric acid CAS Name: 1-(6-aminopurin-9-yl)propan-2-yloxymethylphosphonic acid; phosphoric acid IUPAC Name: 1-(6-aminopurin-9-yl)propan-2-yloxymethylphosphonic acid; phosphoric acid Traditional Name: (2-adenin-9-yl-1-methyl-ethoxy)methylphosphonic acid; phosphoric acid Formula: C9H23N5O16P4 MolecularWeight: 581.197864

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C9H14N5O4P.3H3O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14;3*1-5(2,3)4/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17);3*(H3,1,2,3,4)