[5-(6-aminopurin-9-yl)-2,3,4-tris(oxidanyl)oxolan-2-yl] dihydrogen phosphate

Systemtic Name: [5-(6-aminopurin-9-yl)-2,3,4-tris(oxidanyl)oxolan-2-yl] dihydrogen phosphate Openeye Name: [5-(6-aminopurin-9-yl)-2,3,4-trihydroxy-tetrahydrofuran-2-yl] dihydrogen phosphate CAS Name: [5-(6-aminopurin-9-yl)-2,3,4-trihydroxy-2-oxolanyl] dihydrogen phosphate IUPAC Name: [5-(6-aminopurin-9-yl)-2,3,4-trihydroxyoxolan-2-yl] dihydrogen phosphate Traditional Name: (5-adenin-9-yl-2,3,4-trihydroxy-tetrahydrofuran-2-yl) dihydrogen phosphate Formula: C9H12N5O8P MolecularWeight: 349.194041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)(O)OP(=O)(O)O)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C9H12N5O8P/c10-6-3-7(12-1-11-6)14(2-13-3)8-4(15)5(16)9(17,21-8)22-23(18,19)20/h1-2,4-5,8,15-17H,(H2,10,11,12)(H2,18,19,20)