[2-(6-aminopurin-9-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(6-aminopurin-9-yl)-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(6-aminopurin-9-yl)-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(6-aminopurin-9-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(6-aminopurin-9-yl)-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: (2-adenin-9-yl-1-hydroxy-1-phosphono-ethyl)phosphonic acid Formula: C7H11N5O7P2 MolecularWeight: 339.139062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H11N5O7P2/c8-5-4-6(10-2-9-5)12(3-11-4)1-7(13,20(14,15)16)21(17,18)19/h2-3,13H,1H2,(H2,8,9,10)(H2,14,15,16)(H2,17,18,19)