About 1-[(2R,4S,5R)-4-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[hydroxy-[[(1R,5S,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy]phosphinothioyl]oxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-2-[[[(1R,5S,7R,8S)-5-[[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
1-[(2R,4S,5R)-4-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[hydroxy-[[(1R,5S,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy]phosphinothioyl]oxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-2-[[[(1R,5S,7R,8S)-5-[[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 46884193) has the molecular formula C145H189N52O83P13S13
and a molecular weight of 4807.92 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-4-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[hydroxy-[[(1R,5S,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy]phosphinothioyl]oxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-2-[[[(1R,5S,7R,8S)-5-[[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Frequently Asked Questions
What is the IUPAC name of 1-[(2R,4S,5R)-4-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[hydroxy-[[(1R,5S,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy]phosphinothioyl]oxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-2-[[[(1R,5S,7R,8S)-5-[[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-4-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[hydroxy-[[(1R,5S,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy]phosphinothioyl]oxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-2-[[[(1R,5S,7R,8S)-5-[[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 46884193) is 1-[(2R,4S,5R)-4-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[hydroxy-[[(1R,5S,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy]phosphinothioyl]oxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-2-[[[(1R,5S,7R,8S)-5-[[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-4-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[hydroxy-[[(1R,5S,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy]phosphinothioyl]oxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-2-[[[(1R,5S,7R,8S)-5-[[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-4-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[hydroxy-[[(1R,5S,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy]phosphinothioyl]oxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-2-[[[(1R,5S,7R,8S)-5-[[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@H]2O[C@]3(CO)CN(C)O[C@@H]2[C@@H]3OP(O)(=S)OC[C@]23CN(C)O[C@@H]([C@H](n4cc(C)c(=O)[nH]c4=O)O2)[C@@H]3OP(O)(=S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2OP(O)(=S)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2OP(O)(=S)OC[C@]23CN(C)O[C@@H]([C@H](n4cc(C)c(N)nc4=O)O2)[C@@H]3OP(O)(=S)OC[C@]23CN(C)O[C@@H]([C@H](n4cc(C)c(=O)[nH]c4=O)O2)[C@@H]3O)c(=O)nc1N.
What is the InChIKey of 1-[(2R,4S,5R)-4-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[hydroxy-[[(1R,5S,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy]phosphinothioyl]oxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-2-[[[(1R,5S,7R,8S)-5-[[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is UBAVXBWRZDVYTR-MOWOJSCFSA-N. The full InChI is InChI=1S/C145H189N52O83P13S13/c1-50-19-189(136(218)168-102(50)149)127-95-99(142(39-198,260-127)35-180(7)265-95)278-293(236,306)249-42-145-38-183(10)266-96(129(263-145)192-24-55(6)114(211)179-141(192)223)100(145)279-290(233,303)238-26-59-57(18-72(251-59)188-22-53(4)112(209)177-139(188)221)269-281(224,294)239-27-63-89(81(202)121(255-63)193-45-160-73-104(151)156-43-158-106(73)193)272-288(231,301)245-33-66-92(84(205)124(258-66)196-48-163-76-109(196)171-131(154)174-116(76)213)275-286(229,299)242-30-61-87(79(200)119(253-61)185-15-12-69(147)166-134(185)216)271-284(227,297)244-32-65-90(82(203)122(256-65)194-46-161-74-105(152)157-44-159-107(74)194)273-285(228,298)241-29-60-86(78(199)118(252-60)184-14-11-68(146)165-133(184)215)270-283(226,296)237-25-58-56(17-71(250-58)187-21-52(3)111(208)176-138(187)220)268-282(225,295)240-28-64-91(83(204)123(257-64)195-47-162-75-108(195)170-130(153)173-115(75)212)274-289(232,302)246-34-67-93(85(206)125(259-67)197-49-164-77-110(197)172-132(155)175-117(77)214)276-287(230,300)243-31-62-88(80(201)120(254-62)186-16-13-70(148)167-135(186)217)277-291(234,304)248-41-144-37-182(9)267-97(128(262-144)190-20-51(2)103(150)169-137(190)219)101(144)280-292(235,305)247-40-143-36-181(8)264-94(98(143)207)126(261-143)191-23-54(5)113(210)178-140(191)222/h11-16,19-24,43-49,56-67,71-72,78-101,118-129,198-207H,17-18,25-42H2,1-10H3,(H,224,294)(H,225,295)(H,226,296)(H,227,297)(H,228,298)(H,229,299)(H,230,300)(H,231,301)(H,232,302)(H,233,303)(H,234,304)(H,235,305)(H,236,306)(H2,146,165,215)(H2,147,166,216)(H2,148,167,217)(H2,149,168,218)(H2,150,169,219)(H2,151,156,158)(H2,152,157,159)(H,176,208,220)(H,177,209,221)(H,178,210,222)(H,179,211,223)(H3,153,170,173,212)(H3,154,171,174,213)(H3,155,172,175,214)/t56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,71+,72+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98-,99-,100-,101-,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,142-,143-,144-,145-,281?,282?,283?,284?,285?,286?,287?,288?,289?,290?,291?,292?,293?/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-4-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[hydroxy-[[(1R,5S,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy]phosphinothioyl]oxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-2-[[[(1R,5S,7R,8S)-5-[[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,4S,5R)-4-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[hydroxy-[[(1R,5S,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy]phosphinothioyl]oxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-2-[[[(1R,5S,7R,8S)-5-[[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 4807.92 g/mol, XLogP of -14.69, 80 rotatable bonds, 40 hydrogen bond donors, and 128 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-4-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(2R,3S,4R,5R)-3-[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[hydroxy-[[(1R,5S,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy]phosphinothioyl]oxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,4R,5R)-2-[[[(2R,3S,5R)-2-[[[(1R,5S,7R,8S)-5-[[[(1R,5S,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-methyl-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxa-3-azabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 46884193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).