[(4aR,6R,7R,7aR)-6-(6-azanyl-2-butanoyloxy-purin-9-yl)-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate

Systemtic Name: [(4aR,6R,7R,7aR)-6-(6-azanyl-2-butanoyloxy-purin-9-yl)-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate Openeye Name: [(4aR,6R,7R,7aR)-6-(6-amino-2-butanoyloxy-purin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate CAS Name: butanoic acid [(4aR,6R,7R,7aR)-6-[6-amino-2-(1-oxobutoxy)-9-purinyl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester IUPAC Name: [(4aR,6R,7R,7aR)-6-(6-amino-2-butanoyloxypurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate Traditional Name: butyric acid [(4aR,6R,7R,7aR)-6-(6-amino-2-butyryloxy-purin-9-yl)-2-hydroxy-2-keto-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-yl] ester Formula: C18H24N5O9P MolecularWeight: 485.385021

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1C2C(COP(=O)(O2)O)OC1N3C=NC4=C3N=C(N=C4N)OC(=O)CCC

Isomeric SMILES

CCCC(=O)O[C@@H]1[C@H]2[C@@H](COP(=O)(O2)O)O[C@H]1N3C=NC4=C3N=C(N=C4N)OC(=O)CCC

InChI

InChI=1S/C18H24N5O9P/c1-3-5-10(24)30-14-13-9(7-28-33(26,27)32-13)29-17(14)23-8-20-12-15(19)21-18(22-16(12)23)31-11(25)6-4-2/h8-9,13-14,17H,3-7H2,1-2H3,(H,26,27)(H2,19,21,22)/t9-,13-,14-,17-/m1/s1