[(2R,3S,4S,5R)-5-(6-methoxypurin-9-yl)-4-oxidanyl-3-pentanoyloxy-oxolan-2-yl]methyl pentanoate

Systemtic Name: [(2R,3S,4S,5R)-5-(6-methoxypurin-9-yl)-4-oxidanyl-3-pentanoyloxy-oxolan-2-yl]methyl pentanoate Openeye Name: [(2R,3S,4S,5R)-4-hydroxy-5-(6-methoxypurin-9-yl)-3-pentanoyloxy-tetrahydrofuran-2-yl]methyl pentanoate CAS Name: pentanoic acid [(2R,3S,4S,5R)-4-hydroxy-5-(6-methoxy-9-purinyl)-3-(1-oxopentoxy)-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R)-4-hydroxy-5-(6-methoxypurin-9-yl)-3-pentanoyloxyoxolan-2-yl]methyl pentanoate Traditional Name: valeric acid [(2R,3S,4S,5R)-4-hydroxy-5-(6-methoxypurin-9-yl)-3-valeryloxy-tetrahydrofuran-2-yl]methyl ester Formula: C21H30N4O7 MolecularWeight: 450.4855

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3OC)O)OC(=O)CCCC

Isomeric SMILES

CCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN=C3OC)O)OC(=O)CCCC

InChI

InChI=1S/C21H30N4O7/c1-4-6-8-14(26)30-10-13-18(32-15(27)9-7-5-2)17(28)21(31-13)25-12-24-16-19(25)22-11-23-20(16)29-3/h11-13,17-18,21,28H,4-10H2,1-3H3/t13-,17+,18-,21-/m1/s1