[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-3-yl]oxy-(4-nitrophenoxy)-oxidanylidene-phosphanium

Systemtic Name: [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]oxolan-3-yl]oxy-(4-nitrophenoxy)-oxidanylidene-phosphanium Openeye Name: [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]tetrahydrofuran-3-yl]oxy-(4-nitrophenoxy)-oxo-phosphonium CAS Name: [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-[(2-methyl-1-oxopropyl)amino]-6-oxo-3H-purin-9-yl]-3-oxolanyl]oxy-(4-nitrophenoxy)-oxophosphonium IUPAC Name: [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]oxolan-3-yl]oxy-(4-nitrophenoxy)-oxophosphanium Traditional Name: [(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-(isobutyrylamino)-6-keto-3H-purin-9-yl]tetrahydrofuran-3-yl]oxy-keto-(4-nitrophenoxy)phosphonium Formula: C41H40N6O11P+ MolecularWeight: 823.763661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O[P+](=O)OC7=CC=C(C=C7)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O[P+](=O)OC7=CC=C(C=C7)[N+](=O)[O-]

InChI

InChI=1S/C41H39N6O11P/c1-25(2)38(48)44-40-43-37-36(39(49)45-40)42-24-46(37)35-22-33(58-59(52)57-32-20-14-29(15-21-32)47(50)51)34(56-35)23-55-41(26-8-6-5-7-9-26,27-10-16-30(53-3)17-11-27)28-12-18-31(54-4)19-13-28/h5-21,24-25,33-35H,22-23H2,1-4H3,(H-,43,44,45,48,49)/p+1/t33-,34+,35+/m0/s1