[(E)-4-(6-aminopurin-9-yl)-3-oxidanyl-but-1-enyl]phosphonic acid

Systemtic Name: [(E)-4-(6-aminopurin-9-yl)-3-oxidanyl-but-1-enyl]phosphonic acid Openeye Name: [(E)-4-(6-aminopurin-9-yl)-3-hydroxy-but-1-enyl]phosphonic acid CAS Name: [(E)-4-(6-aminopurin-9-yl)-3-hydroxybut-1-enyl]phosphonic acid IUPAC Name: [(E)-4-(6-aminopurin-9-yl)-3-hydroxybut-1-enyl]phosphonic acid Traditional Name: [(E)-4-adenin-9-yl-3-hydroxy-but-1-enyl]phosphonic acid Formula: C9H12N5O4P MolecularWeight: 285.196441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N5O4P/c10-8-7-9(12-4-11-8)14(5-13-7)3-6(15)1-2-19(16,17)18/h1-2,4-6,15H,3H2,(H2,10,11,12)(H2,16,17,18)/b2-1+