9-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-2-pyridin-1-ium-1-yl-purin-6-olate

Systemtic Name: 9-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-2-pyridin-1-ium-1-yl-purin-6-olate Openeye Name: 9-[(2R,3R,4R,5R)-3,4-diacetoxy-5-(acetoxymethyl)tetrahydrofuran-2-yl]-2-pyridin-1-ium-1-yl-purin-6-olate CAS Name: 9-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)-2-oxolanyl]-2-(1-pyridin-1-iumyl)-6-purinolate IUPAC Name: 9-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-2-pyridin-1-ium-1-ylpurin-6-olate Traditional Name: 9-[(2R,3R,4R,5R)-3,4-diacetoxy-5-(acetoxymethyl)tetrahydrofuran-2-yl]-2-pyridin-1-ium-1-yl-purin-6-olate Formula: C21H21N5O8 MolecularWeight: 471.42014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3[O-])[N+]4=CC=CC=C4)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3[O-])[N+]4=CC=CC=C4)OC(=O)C)OC(=O)C

InChI

InChI=1S/C21H21N5O8/c1-11(27)31-9-14-16(32-12(2)28)17(33-13(3)29)20(34-14)26-10-22-15-18(26)23-21(24-19(15)30)25-7-5-4-6-8-25/h4-8,10,14,16-17,20H,9H2,1-3H3/t14-,16-,17-,20-/m1/s1