[(2R,3S,5R)-3-acetyloxy-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methoxy-[[2-(4-nitrophenyl)ethoxy-oxidanyl-phosphoryl]methyl]phosphinic acid

Systemtic Name: [(2R,3S,5R)-3-acetyloxy-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methoxy-[[2-(4-nitrophenyl)ethoxy-oxidanyl-phosphoryl]methyl]phosphinic acid Openeye Name: [(2R,3S,5R)-3-acetoxy-5-(6-benzamidopurin-9-yl)tetrahydrofuran-2-yl]methoxy-[[hydroxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]methyl]phosphinic acid CAS Name: [(2R,3S,5R)-3-acetyloxy-5-(6-benzamido-9-purinyl)-2-oxolanyl]methoxy-[[hydroxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]methyl]phosphinic acid IUPAC Name: [(2R,3S,5R)-3-acetyloxy-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methoxy-[[hydroxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]methyl]phosphinic acid Traditional Name: [(2R,3S,5R)-3-acetoxy-5-(6-benzamidopurin-9-yl)tetrahydrofuran-2-yl]methoxy-[[hydroxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]methyl]phosphinic acid Formula: C28H30N6O12P2 MolecularWeight: 704.518322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC1COP(=O)(CP(=O)(O)OCCC2=CC=C(C=C2)[N+](=O)[O-])O)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(CP(=O)(O)OCCC2=CC=C(C=C2)[N+](=O)[O-])O)N3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H30N6O12P2/c1-18(35)45-22-13-24(33-16-31-25-26(29-15-30-27(25)33)32-28(36)20-5-3-2-4-6-20)46-23(22)14-44-48(41,42)17-47(39,40)43-12-11-19-7-9-21(10-8-19)34(37)38/h2-10,15-16,22-24H,11-14,17H2,1H3,(H,39,40)(H,41,42)(H,29,30,32,36)/t22-,23+,24+/m0/s1