ethyl 6-[[5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy]hexanoate

Systemtic Name: ethyl 6-[[5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy]hexanoate Openeye Name: ethyl 6-[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy]hexanoate CAS Name: 6-[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-2-oxolanyl]methoxy]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy]hexanoate Traditional Name: 6-[(5-adenin-9-yl-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl)methoxy]hexanoic acid ethyl ester Formula: C18H28N5O9P MolecularWeight: 489.416781

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O

Isomeric SMILES

CCOC(=O)CCCCCOCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O

InChI

InChI=1S/C18H28N5O9P/c1-2-30-12(24)6-4-3-5-7-29-8-11-15(32-33(26,27)28)14(25)18(31-11)23-10-22-13-16(19)20-9-21-17(13)23/h9-11,14-15,18,25H,2-8H2,1H3,(H2,19,20,21)(H2,26,27,28)