[(2R,3R,4R,5R)-3,4-diacetyloxy-5-[6-[(2S,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]oxypurin-9-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[6-[(2S,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]oxypurin-9-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R,5R)-3,4-diacetoxy-5-[6-[(2S,3R,4R,5R)-3,4-diacetoxy-5-(acetoxymethyl)tetrahydrofuran-2-yl]oxypurin-9-yl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[6-[[(2S,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)-2-oxolanyl]oxy]-9-purinyl]-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-[6-[(2S,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]oxypurin-9-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,5R)-3,4-diacetoxy-5-[6-[(2S,3R,4R,5R)-3,4-diacetoxy-5-(acetoxymethyl)tetrahydrofuran-2-yl]oxypurin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C27H32N4O15 MolecularWeight: 652.56078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3OC4C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3O[C@H]4[C@@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C27H32N4O15/c1-11(32)38-7-17-20(40-13(3)34)22(42-15(5)36)26(44-17)31-10-30-19-24(31)28-9-29-25(19)46-27-23(43-16(6)37)21(41-14(4)35)18(45-27)8-39-12(2)33/h9-10,17-18,20-23,26-27H,7-8H2,1-6H3/t17-,18-,20-,21-,22-,23-,26-,27+/m1/s1