[(3R,5R)-3-acetyloxy-2-(acetyloxymethyl)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl ethanoate

Systemtic Name: [(3R,5R)-3-acetyloxy-2-(acetyloxymethyl)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl ethanoate Openeye Name: [(3R,5R)-3-acetoxy-2-(acetoxymethyl)-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(3R,5R)-3-acetyloxy-2-(acetyloxymethyl)-5-(6-aminopurin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [(3R,5R)-3-acetyloxy-2-(acetyloxymethyl)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(3R,5R)-3-acetoxy-2-(acetoxymethyl)-5-adenin-9-yl-tetrahydrofuran-2-yl]methyl ester Formula: C17H21N5O7 MolecularWeight: 407.37794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(C(CC(O1)N2C=NC3=C2N=CN=C3N)OC(=O)C)COC(=O)C

Isomeric SMILES

CC(=O)OCC1([C@@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3N)OC(=O)C)COC(=O)C

InChI

InChI=1S/C17H21N5O7/c1-9(23)26-5-17(6-27-10(2)24)12(28-11(3)25)4-13(29-17)22-8-21-14-15(18)19-7-20-16(14)22/h7-8,12-13H,4-6H2,1-3H3,(H2,18,19,20)/t12-,13-/m1/s1