2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (4-nitrophenyl) phosphate

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (4-nitrophenyl) phosphate Openeye Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; (4-nitrophenyl) phosphate CAS Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (4-nitrophenyl) phosphate IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (4-nitrophenyl) phosphate Traditional Name: 2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol; (4-nitrophenyl) phosphate Formula: C16H17N6O10P-2 MolecularWeight: 484.314141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)([O-])[O-].C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OP(=O)([O-])[O-].C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C10H13N5O4.C6H6NO6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1-4H,(H2,10,11,12)/p-2