[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[methoxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]oxymethyl]oxolan-3-yl]oxy-methoxy-phosphoryl]oxymethyl]oxolan-3-yl] ethanoate

Systemtic Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[methoxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]oxymethyl]oxolan-3-yl]oxy-methoxy-phosphoryl]oxymethyl]oxolan-3-yl] ethanoate Openeye Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[methoxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-methoxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [(2R,3S,5R)-5-(6-benzamido-9-purinyl)-2-[[[(2R,3S,5R)-5-(6-benzamido-9-purinyl)-2-[[methoxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]oxymethyl]-3-oxolanyl]oxy-methoxyphosphoryl]oxymethyl]-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[methoxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]oxymethyl]oxolan-3-yl]oxy-methoxyphosphoryl]oxymethyl]oxolan-3-yl] acetate Traditional Name: acetic acid [(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-benzamidopurin-9-yl)-2-[[methoxy-[2-(4-nitrophenyl)ethoxy]phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-methoxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester Formula: C46H47N11O16P2 MolecularWeight: 1071.877002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC1COP(=O)(OC)OC2CC(OC2COP(=O)(OC)OCCC3=CC=C(C=C3)[N+](=O)[O-])N4C=NC5=C4N=CN=C5NC(=O)C6=CC=CC=C6)N7C=NC8=C7N=CN=C8NC(=O)C9=CC=CC=C9

Isomeric SMILES

CC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OC)O[C@H]2C[C@@H](O[C@@H]2COP(=O)(OC)OCCC3=CC=C(C=C3)[N+](=O)[O-])N4C=NC5=C4N=CN=C5NC(=O)C6=CC=CC=C6)N7C=NC8=C7N=CN=C8NC(=O)C9=CC=CC=C9

InChI

InChI=1S/C46H47N11O16P2/c1-28(58)70-33-20-37(55-26-51-39-41(47-24-49-43(39)55)53-45(59)30-10-6-4-7-11-30)71-35(33)22-69-75(64,66-3)73-34-21-38(56-27-52-40-42(48-25-50-44(40)56)54-46(60)31-12-8-5-9-13-31)72-36(34)23-68-74(63,65-2)67-19-18-29-14-16-32(17-15-29)57(61)62/h4-17,24-27,33-38H,18-23H2,1-3H3,(H,47,49,53,59)(H,48,50,54,60)/t33-,34-,35+,36+,37+,38+,74?,75?/m0/s1