[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-methoxy-4-oxidanyl-oxolan-2-yl]methyl 4-oxidanylidenepentanoate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-methoxy-4-oxidanyl-oxolan-2-yl]methyl 4-oxidanylidenepentanoate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]methyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-methoxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-methoxyoxolan-2-yl]methyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2R,3S,4R,5R)-5-adenin-9-yl-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]methyl ester Formula: C16H21N5O6 MolecularWeight: 379.36784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OC

Isomeric SMILES

CC(=O)CCC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OC

InChI

InChI=1S/C16H21N5O6/c1-8(22)3-4-10(23)26-5-9-13(25-2)12(24)16(27-9)21-7-20-11-14(17)18-6-19-15(11)21/h6-7,9,12-13,16,24H,3-5H2,1-2H3,(H2,17,18,19)/t9-,12-,13-,16-/m1/s1