About [(2S,3R,5S)-2-[[[(2S,3R,5S)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
[(2S,3R,5S)-2-[[[(2S,3R,5S)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate (PubChem CID 139213189) has the molecular formula C77H93N31O49P8-8
and a molecular weight of 2484.55 g/mol. Its IUPAC name is [(2S,3R,5S)-2-[[[(2S,3R,5S)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate.
Frequently Asked Questions
What is the IUPAC name of [(2S,3R,5S)-2-[[[(2S,3R,5S)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate?
The IUPAC name of [(2S,3R,5S)-2-[[[(2S,3R,5S)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate (CID 139213189) is [(2S,3R,5S)-2-[[[(2S,3R,5S)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate.
What is the SMILES notation for [(2S,3R,5S)-2-[[[(2S,3R,5S)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate?
The canonical SMILES for [(2S,3R,5S)-2-[[[(2S,3R,5S)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate is Cc1cn([C@H]2C[C@H](OP(=O)([O-])OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)([O-])OC[C@H]3O[C@@H](n4ccc(N)nc4=O)C[C@@H]3OP(=O)([O-])O)[C@@H](COP(=O)([O-])O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3CO)O2)c(=O)[nH]c1=O.Nc1nc2c(ncn2[C@@H]2C[C@@H](OP(=O)([O-])OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@H]3OP(=O)([O-])OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)C[C@H]3OP(=O)([O-])OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)C[C@H]3OP(=O)([O-])O)[C@H](CO)O2)c(=O)[nH]1.
What is the InChIKey of [(2S,3R,5S)-2-[[[(2S,3R,5S)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate?
The InChIKey is XQWGWNFKBIIRHI-AZSSJAMESA-F. The full InChI is InChI=1S/C40H50N20O23P4.C37H51N11O26P4/c41-31-27-33(47-9-45-31)57(11-49-27)23-2-16(80-84(64,65)66)20(77-23)6-73-86(69,70)82-17-3-24(58-12-50-28-32(42)46-10-48-34(28)58)78-21(17)7-75-87(71,72)83-18-4-26(60-14-52-30-36(60)54-40(44)56-38(30)63)79-22(18)8-74-85(67,68)81-15-1-25(76-19(15)5-61)59-13-51-29-35(59)53-39(43)55-37(29)62;1-17-12-48(37(54)44-33(17)50)32-11-21(25(70-32)16-65-76(58,59)72-18-8-29(67-22(18)13-49)45-5-2-26(38)41-34(45)51)74-78(62,63)66-15-24-20(10-31(69-24)47-7-4-28(40)43-36(47)53)73-77(60,61)64-14-23-19(71-75(55,56)57)9-30(68-23)46-6-3-27(39)42-35(46)52/h9-26,61H,1-8H2,(H,67,68)(H,69,70)(H,71,72)(H2,41,45,47)(H2,42,46,48)(H2,64,65,66)(H3,43,53,55,62)(H3,44,54,56,63);2-7,12,18-25,29-32,49H,8-11,13-16H2,1H3,(H,58,59)(H,60,61)(H,62,63)(H2,38,41,51)(H2,39,42,52)(H2,40,43,53)(H,44,50,54)(H2,55,56,57)/p-8/t15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25+,26+;18-,19-,20-,21-,22+,23+,24+,25+,29+,30+,31+,32+/m10/s1.
What are the key properties of [(2S,3R,5S)-2-[[[(2S,3R,5S)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate?
[(2S,3R,5S)-2-[[[(2S,3R,5S)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate has a molecular weight of 2484.55 g/mol, XLogP of -9.18, 44 rotatable bonds, 14 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5S)-2-[[[(2S,3R,5S)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2S,3R,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl] hydrogen phosphate;[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate is sourced from PubChem (CID 139213189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).