[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl 2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethyl hydrogen phosphate

Systemtic Name: [(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl 2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethyl hydrogen phosphate Openeye Name: [(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[2-[(9-oxofluorene-4-carbonyl)amino]ethoxy]phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[[(2R,3S,5R)-2-[[hydroxy-[2-[[oxo-(9-oxo-4-fluorenyl)methyl]amino]ethoxy]phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy]phosphoryl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-oxolanyl] [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[(2R,3S,5R)-2-[[hydroxy-[2-[(9-oxofluorene-4-carbonyl)amino]ethoxy]phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate Traditional Name: [(2R,3S,5R)-3-[[(2R,3S,5R)-5-adenin-9-yl-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(4-amino-2-keto-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2-[(9-ketofluorene-4-carbonyl)amino]ethyl hydrogen phosphate Formula: C55H62N16O26P4 MolecularWeight: 1487.067424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OCCNC(=O)C3=CC=CC4=C3C5=CC=CC=C5C4=O)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C7N=CN=C8N)OP(=O)(O)OCC9C(CC(O9)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=CN=C2N)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OCCNC(=O)C3=CC=CC4=C3C5=CC=CC=C5C4=O)OP(=O)(O)OC[C@@H]6[C@H](C[C@@H](O6)N7C=NC8=C7N=CN=C8N)OP(=O)(O)OC[C@@H]9[C@H](C[C@@H](O9)N1C=CC(=NC1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=CN=C2N)O

InChI

InChI=1S/C55H62N16O26P4/c1-26-17-69(55(77)67-52(26)74)42-15-33(36(93-42)19-87-98(78,79)86-12-10-59-53(75)30-8-4-7-29-44(30)27-5-2-3-6-28(27)47(29)73)96-100(82,83)90-21-38-34(16-43(94-38)71-25-65-46-49(58)61-23-63-51(46)71)97-101(84,85)89-20-37-32(14-41(92-37)68-11-9-39(56)66-54(68)76)95-99(80,81)88-18-35-31(72)13-40(91-35)70-24-64-45-48(57)60-22-62-50(45)70/h2-9,11,17,22-25,31-38,40-43,72H,10,12-16,18-21H2,1H3,(H,59,75)(H,78,79)(H,80,81)(H,82,83)(H,84,85)(H2,56,66,76)(H2,57,60,62)(H2,58,61,63)(H,67,74,77)/t31-,32-,33-,34-,35+,36+,37+,38+,40+,41+,42+,43+/m0/s1