[(2S,4R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]phosphonic acid

Systemtic Name: [(2S,4R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]phosphonic acid Openeye Name: [(2S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]phosphonic acid CAS Name: [(2S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)-2-oxolanyl]phosphonic acid IUPAC Name: [(2S,4R)-4-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl]phosphonic acid Traditional Name: [(2S,4R)-4-(2-amino-6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]phosphonic acid Formula: C9H12N5O5P MolecularWeight: 301.195841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(COC1P(=O)(O)O)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1[C@H](CO[C@H]1P(=O)(O)O)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C9H12N5O5P/c10-9-12-7-6(8(15)13-9)11-3-14(7)4-1-5(19-2-4)20(16,17)18/h3-5H,1-2H2,(H2,16,17,18)(H3,10,12,13,15)/t4-,5+/m1/s1