[(2S)-1-(6-aminopurin-9-yl)-3-fluoranyl-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2S)-1-(6-aminopurin-9-yl)-3-fluoranyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[(6-aminopurin-9-yl)methyl]-2-fluoranyl-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-(6-aminopurin-9-yl)-3-fluoranylpropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-(6-aminopurin-9-yl)-3-fluoranylpropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-(adenin-9-ylmethyl)-2-fluoranyl-ethoxy]methylphosphonic acid Formula: C9H13FN5O4P MolecularWeight: 304.205319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CC(CF)OCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C[C@@H](C[18F])OCP(=O)(O)O

InChI

InChI=1S/C9H13FN5O4P/c10-1-6(19-5-20(16,17)18)2-15-4-14-7-8(11)12-3-13-9(7)15/h3-4,6H,1-2,5H2,(H2,11,12,13)(H2,16,17,18)/t6-/m1/s1/i10-1