2-[2-(6-aminopurin-9-yl)-6-(phosphonooxymethyl)morpholin-4-yl]ethylphosphonic acid

Systemtic Name: 2-[2-(6-aminopurin-9-yl)-6-(phosphonooxymethyl)morpholin-4-yl]ethylphosphonic acid Openeye Name: 2-[2-(6-aminopurin-9-yl)-6-(phosphonooxymethyl)morpholin-4-yl]ethylphosphonic acid CAS Name: 2-[2-(6-aminopurin-9-yl)-6-(phosphonooxymethyl)-4-morpholinyl]ethylphosphonic acid IUPAC Name: 2-[2-(6-aminopurin-9-yl)-6-(phosphonooxymethyl)morpholin-4-yl]ethylphosphonic acid Traditional Name: 2-[2-adenin-9-yl-6-(phosphonooxymethyl)morpholino]ethylphosphonic acid Formula: C12H20N6O8P2 MolecularWeight: 438.270122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(CN1CCP(=O)(O)O)N2C=NC3=C2N=CN=C3N)COP(=O)(O)O

Isomeric SMILES

C1C(OC(CN1CCP(=O)(O)O)N2C=NC3=C2N=CN=C3N)COP(=O)(O)O

InChI

InChI=1S/C12H20N6O8P2/c13-11-10-12(15-6-14-11)18(7-16-10)9-4-17(1-2-27(19,20)21)3-8(26-9)5-25-28(22,23)24/h6-9H,1-5H2,(H2,13,14,15)(H2,19,20,21)(H2,22,23,24)