[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphanyl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphanyl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl] 4-oxidanylidenepentanoate Openeye Name: [(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphanyl]oxymethyl]-5-(6-benzamidopurin-9-yl)tetrahydrofuran-3-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-oxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphino]oxymethyl]-5-(6-benzamido-9-purinyl)-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphanyl]oxymethyl]-5-(6-benzamidopurin-9-yl)oxolan-3-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-benzamido-2-keto-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]oxy-hydroxy-phosphino]oxymethyl]-5-(6-benzamidopurin-9-yl)tetrahydrofuran-3-yl] ester Formula: C38H39N8O12P MolecularWeight: 830.736421

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1CC(OC1COP(O)OC2CC(OC2CO)N3C=CC(=NC3=O)NC(=O)C4=CC=CC=C4)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7

Isomeric SMILES

CC(=O)CCC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(O)O[C@H]2C[C@@H](O[C@@H]2CO)N3C=CC(=NC3=O)NC(=O)C4=CC=CC=C4)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7

InChI

InChI=1S/C38H39N8O12P/c1-22(48)12-13-32(49)57-25-16-31(46-21-41-33-34(39-20-40-35(33)46)44-37(51)24-10-6-3-7-11-24)56-28(25)19-54-59(53)58-26-17-30(55-27(26)18-47)45-15-14-29(43-38(45)52)42-36(50)23-8-4-2-5-9-23/h2-11,14-15,20-21,25-28,30-31,47,53H,12-13,16-19H2,1H3,(H,39,40,44,51)(H,42,43,50,52)/t25-,26-,27+,28+,30+,31+,59?/m0/s1