2-azanyl-9-[(2R,3R,4R,5R)-3-methoxy-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]-7-methyl-purin-9-ium-6-olate

Systemtic Name: 2-azanyl-9-[(2R,3R,4R,5R)-3-methoxy-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]-7-methyl-purin-9-ium-6-olate Openeye Name: 2-amino-9-[(2R,3R,4R,5R)-4-hydroxy-3-methoxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-7-methyl-purin-9-ium-6-olate CAS Name: 2-amino-9-[(2R,3R,4R,5R)-4-hydroxy-3-methoxy-5-(phosphonooxymethyl)-2-oxolanyl]-7-methyl-6-purin-9-iumolate IUPAC Name: 2-amino-9-[(2R,3R,4R,5R)-4-hydroxy-3-methoxy-5-(phosphonooxymethyl)oxolan-2-yl]-7-methylpurin-9-ium-6-olate Traditional Name: 2-amino-9-[(2R,3R,4R,5R)-4-hydroxy-3-methoxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]-7-methyl-purin-9-ium-6-olate Formula: C12H18N5O8P MolecularWeight: 391.273781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C2=C1C(=NC(=N2)N)[O-])C3C(C(C(O3)COP(=O)(O)O)O)OC

Isomeric SMILES

CN1C=[N+](C2=C1C(=NC(=N2)N)[O-])[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OC

InChI

InChI=1S/C12H18N5O8P/c1-16-4-17(9-6(16)10(19)15-12(13)14-9)11-8(23-2)7(18)5(25-11)3-24-26(20,21)22/h4-5,7-8,11,18H,3H2,1-2H3,(H4-,13,14,15,19,20,21,22)/t5-,7-,8-,11-/m1/s1