[(2S,4R,5R)-5-[6-[2-(4-nitrophenyl)ethoxycarbonylamino]purin-9-yl]-4-oxidanyl-oxolan-2-yl]methyl 2-(4-nitrophenyl)ethyl carbonate

Systemtic Name: [(2S,4R,5R)-5-[6-[2-(4-nitrophenyl)ethoxycarbonylamino]purin-9-yl]-4-oxidanyl-oxolan-2-yl]methyl 2-(4-nitrophenyl)ethyl carbonate Openeye Name: [(2S,4R,5R)-4-hydroxy-5-[6-[2-(4-nitrophenyl)ethoxycarbonylamino]purin-9-yl]tetrahydrofuran-2-yl]methyl 2-(4-nitrophenyl)ethyl carbonate CAS Name: carbonic acid [(2S,4R,5R)-4-hydroxy-5-[6-[[2-(4-nitrophenyl)ethoxy-oxomethyl]amino]-9-purinyl]-2-oxolanyl]methyl 2-(4-nitrophenyl)ethyl ester IUPAC Name: [(2S,4R,5R)-4-hydroxy-5-[6-[2-(4-nitrophenyl)ethoxycarbonylamino]purin-9-yl]oxolan-2-yl]methyl 2-(4-nitrophenyl)ethyl carbonate Traditional Name: carbonic acid [(2S,4R,5R)-4-hydroxy-5-[6-[2-(4-nitrophenyl)ethoxycarbonylamino]purin-9-yl]tetrahydrofuran-2-yl]methyl 2-(4-nitrophenyl)ethyl ester Formula: C28H27N7O11 MolecularWeight: 637.55428

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C1O)N2C=NC3=C2N=CN=C3NC(=O)OCCC4=CC=C(C=C4)[N+](=O)[O-])COC(=O)OCCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=CN=C3NC(=O)OCCC4=CC=C(C=C4)[N+](=O)[O-])COC(=O)OCCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H27N7O11/c36-22-13-21(14-45-28(38)44-12-10-18-3-7-20(8-4-18)35(41)42)46-26(22)33-16-31-23-24(29-15-30-25(23)33)32-27(37)43-11-9-17-1-5-19(6-2-17)34(39)40/h1-8,15-16,21-22,26,36H,9-14H2,(H,29,30,32,37)/t21-,22+,26+/m0/s1