[3-(6-aminopurin-9-yl)oxy-4-oxidanyl-butoxy]methylphosphonic acid

Systemtic Name: [3-(6-aminopurin-9-yl)oxy-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [3-(6-aminopurin-9-yl)oxy-4-hydroxy-butoxy]methylphosphonic acid CAS Name: [3-(6-aminopurin-9-yl)oxy-4-hydroxybutoxy]methylphosphonic acid IUPAC Name: [3-(6-aminopurin-9-yl)oxy-4-hydroxybutoxy]methylphosphonic acid Traditional Name: (3-adenin-9-yloxy-4-hydroxy-butoxy)methylphosphonic acid Formula: C10H16N5O6P MolecularWeight: 333.237701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2OC(CCOCP(=O)(O)O)CO

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2OC(CCOCP(=O)(O)O)CO

InChI

InChI=1S/C10H16N5O6P/c11-9-8-10(13-4-12-9)15(5-14-8)21-7(3-16)1-2-20-6-22(17,18)19/h4-5,7,16H,1-3,6H2,(H2,11,12,13)(H2,17,18,19)