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

Systemtic Name: [5-(6-aminopurin-9-yl)-4-methoxy-4-oxidanyl-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl]methyl 4-oxidanylidenepentanoate Openeye Name: [5-(6-aminopurin-9-yl)-4-hydroxy-4-methoxy-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-4-methoxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-4-hydroxy-4-methoxy-3-(4-oxopentanoyloxy)oxolan-2-yl]methyl 4-oxopentanoate Traditional Name: 4-ketovaleric acid [5-adenin-9-yl-4-hydroxy-3-(4-ketopentanoyloxy)-4-methoxy-tetrahydrofuran-2-yl]methyl ester Formula: C21H27N5O9 MolecularWeight: 493.46718

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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)OC(=O)CCC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O9/c1-11(27)4-6-14(29)33-8-13-17(35-15(30)7-5-12(2)28)21(31,32-3)20(34-13)26-10-25-16-18(22)23-9-24-19(16)26/h9-10,13,17,20,31H,4-8H2,1-3H3,(H2,22,23,24)