[5-(6-aminopurin-9-yl)-4-oxidanyl-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl]methyl 4-oxidanylidenepentanoate

Systemtic Name: [5-(6-aminopurin-9-yl)-4-oxidanyl-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl]methyl 4-oxidanylidenepentanoate Openeye Name: [5-(6-aminopurin-9-yl)-4-hydroxy-3-(4-oxopentanoyloxy)tetrahydrofuran-2-yl]methyl 4-oxopentanoate CAS Name: 4-oxopentanoic acid [5-(6-aminopurin-9-yl)-3-(1,4-dioxopentoxy)-4-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-4-hydroxy-3-(4-oxopentanoyloxy)oxolan-2-yl]methyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid [5-adenin-9-yl-4-hydroxy-3-(4-ketopentanoyloxy)tetrahydrofuran-2-yl]methyl ester Formula: C20H25N5O8 MolecularWeight: 463.4412

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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(=O)CCC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O8/c1-10(26)3-5-13(28)31-7-12-17(33-14(29)6-4-11(2)27)16(30)20(32-12)25-9-24-15-18(21)22-8-23-19(15)25/h8-9,12,16-17,20,30H,3-7H2,1-2H3,(H2,21,22,23)