[(2R,3R,4S,5R)-4-(2,2-dimethylpropanoyloxy)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [(2R,3R,4S,5R)-4-(2,2-dimethylpropanoyloxy)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-yl] 2,2-dimethylpropanoate Openeye Name: [(2R,3R,4S,5R)-4-(2,2-dimethylpropanoyloxy)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)tetrahydrofuran-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2R,3R,4S,5R)-4-(2,2-dimethyl-1-oxopropoxy)-2-(hydroxymethyl)-5-(6-methoxy-9-purinyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4S,5R)-4-(2,2-dimethylpropanoyloxy)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2R,3R,4S,5R)-5-(6-methoxypurin-9-yl)-2-methylol-4-pivaloyloxy-tetrahydrofuran-3-yl] ester Formula: C21H30N4O7 MolecularWeight: 450.4855

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1C(OC(C1OC(=O)C(C)(C)C)N2C=NC3=C2N=CN=C3OC)CO

Isomeric SMILES

CC(C)(C)C(=O)O[C@@H]1[C@H](O[C@H]([C@H]1OC(=O)C(C)(C)C)N2C=NC3=C2N=CN=C3OC)CO

InChI

InChI=1S/C21H30N4O7/c1-20(2,3)18(27)31-13-11(8-26)30-17(14(13)32-19(28)21(4,5)6)25-10-24-12-15(25)22-9-23-16(12)29-7/h9-11,13-14,17,26H,8H2,1-7H3/t11-,13-,14+,17-/m1/s1