[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-[6-oxidanylhexoxy(oxidanylidene)phosphaniumyl]oxy-oxolan-2-yl]methoxy-oxidanylidene-phosphaniumyl]oxy-oxolan-2-yl]methoxy-oxidanylidene-phosphaniumyl]oxy-oxolan-2-yl]methoxy-[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[6-oxidanylhexoxy(oxidanylidene)phosphaniumyl]oxymethyl]oxolan-3-yl]oxy-oxidanylidene-phosphanium

Systemtic Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-[6-oxidanylhexoxy(oxidanylidene)phosphaniumyl]oxy-oxolan-2-yl]methoxy-oxidanylidene-phosphaniumyl]oxy-oxolan-2-yl]methoxy-oxidanylidene-phosphaniumyl]oxy-oxolan-2-yl]methoxy-[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[6-oxidanylhexoxy(oxidanylidene)phosphaniumyl]oxymethyl]oxolan-3-yl]oxy-oxidanylidene-phosphanium Openeye Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[6-hydroxyhexoxy(oxo)phosphaniumyl]oxymethyl]tetrahydrofuran-3-yl]oxy-oxo-phosphaniumyl]oxymethyl]-5-(6-aminopurin-9-yl)tetrahydrofuran-3-yl]oxy-oxo-phosphaniumyl]oxymethyl]tetrahydrofuran-3-yl]oxy-[[(2R,3S,5R)-3-[6-hydroxyhexoxy(oxo)phosphaniumyl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]-oxo-phosphonium CAS Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[6-hydroxyhexoxy(oxo)phosphiniumyl]oxymethyl]-3-oxolanyl]oxy-oxophosphiniumyl]oxymethyl]-5-(6-aminopurin-9-yl)-3-oxolanyl]oxy-oxophosphiniumyl]oxymethyl]-3-oxolanyl]oxy-[[(2R,3S,5R)-3-[6-hydroxyhexoxy(oxo)phosphiniumyl]oxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy]-oxophosphonium IUPAC Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[6-hydroxyhexoxy(oxo)phosphaniumyl]oxymethyl]oxolan-3-yl]oxy-oxophosphaniumyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxophosphaniumyl]oxymethyl]oxolan-3-yl]oxy-[[(2R,3S,5R)-3-[6-hydroxyhexoxy(oxo)phosphaniumyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-oxophosphanium Traditional Name: [(2R,3S,5R)-5-adenin-9-yl-3-[[(2R,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-[6-hydroxyhexoxy(keto)phosphiniumyl]oxy-tetrahydrofuran-2-yl]methoxy-keto-phosphiniumyl]oxy-tetrahydrofuran-2-yl]methoxy-keto-phosphiniumyl]oxy-tetrahydrofuran-2-yl]methoxy-[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[6-hydroxyhexoxy(keto)phosphiniumyl]oxymethyl]tetrahydrofuran-3-yl]oxy-keto-phosphonium Formula: C51H71N15O25P5+5 MolecularWeight: 1449.063745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[P+](=O)OC3CC(OC3CO[P+](=O)OC4CC(OC4CO[P+](=O)OC5CC(OC5CO[P+](=O)OCCCCCCO)N6C=CC(=NC6=O)N)N7C=NC8=C7N=CN=C8N)N9C=NC1=C9NC(=NC1=O)N)O[P+](=O)OCCCCCCO

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P+](=O)O[C@H]3C[C@@H](O[C@@H]3CO[P+](=O)O[C@H]4C[C@@H](O[C@@H]4CO[P+](=O)O[C@H]5C[C@@H](O[C@@H]5CO[P+](=O)OCCCCCCO)N6C=CC(=NC6=O)N)N7C=NC8=C7N=CN=C8N)N9C=NC1=C9NC(=NC1=O)N)O[P+](=O)OCCCCCCO

InChI

InChI=1S/C51H68N15O25P5/c1-28-20-64(51(72)62-47(28)69)39-17-30(88-93(74)79-15-9-5-3-7-13-68)34(85-39)22-81-95(76)91-32-19-41(66-27-58-43-46(66)60-49(54)61-48(43)70)87-36(32)24-83-96(77)90-31-18-40(65-26-57-42-44(53)55-25-56-45(42)65)86-35(31)23-82-94(75)89-29-16-38(63-11-10-37(52)59-50(63)71)84-33(29)21-80-92(73)78-14-8-4-2-6-12-67/h10-11,20,25-27,29-36,38-41,67-68H,2-9,12-19,21-24H2,1H3,(H5-3,52,53,54,55,56,59,60,61,62,69,70,71,72)/q+2/p+3/t29-,30-,31-,32-,33+,34+,35+,36+,38+,39+,40+,41+/m0/s1