O3-[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] O1-[2-(3-methylimidazol-3-ium-1-y

Systemtic Name: O3-[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] O1-[2-(3-methylimidazol-3-ium-1-y Openeye Name: O3-[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] O1-[2-(3-methylimidazol-3-ium-1-yl)ethyl] pro CAS Name: propanedioic acid O3-[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester O1-[2-(3-methyl-1-imidazol-3-iumyl)ethyl] ester tetrafluorobor IUPAC Name: 3-O-[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 1-O-[2-(3-methylimidazol-3-ium-1-yl)ethyl] propanedioate tetrafluoroborate Traditional Name: malonic acid O3-[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-(2-cyanoethoxy)phosphoryl]oxymethyl]-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl] ester O1-[2-(3-methylimidazo Formula: C79H91BF4N13O31P3 MolecularWeight: 1898.362236

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OCCC#N)OC3CC(OC3COP(=O)(OCCC#N)OC4CC(OC4COP(=O)(OCCC#N)OC5CC(OC5COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)N9C=C(C(=O)NC9=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)OC(=O)CC(=O)OCCN1C=C[N+](=C1)C

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCC#N)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(OCCC#N)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(OCCC#N)O[C@H]5C[C@@H](O[C@@H]5COC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)N9C=C(C(=O)NC9=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)OC(=O)CC(=O)OCCN1C=C[N+](=C1)C

InChI

InChI=1S/C79H90N13O31P3.BF4/c1-48-39-89(75(99)83-71(48)95)65-34-57(120-70(94)38-69(93)108-33-29-88-28-27-87(5)47-88)62(117-65)44-113-124(103,110-30-11-24-80)122-59-36-67(91-41-50(3)73(97)85-77(91)101)119-64(59)46-115-126(105,112-32-13-26-82)123-60-37-68(92-42-51(4)74(98)86-78(92)102)118-63(60)45-114-125(104,111-31-12-25-81)121-58-35-66(90-40-49(2)72(96)84-76(90)100)116-61(58)43-109-79(52-14-9-8-10-15-52,53-16-20-55(106-6)21-17-53)54-18-22-56(107-7)23-19-54;2-1(3,4)5/h8-10,14-23,27-28,39-42,47,57-68H,11-13,29-38,43-46H2,1-7H3,(H3-,83,84,85,86,95,96,97,98,99,100,101,102);/q;-1/p+1/t57-,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68+,124?,125?,126?;/m0./s1