About 1-[(2R,4S,5R)-5-[[(2R,3S,5R)-2-[[(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-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,5R)-2-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
1-[(2R,4S,5R)-5-[[(2R,3S,5R)-2-[[(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-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,5R)-2-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 177435367) has the molecular formula C109H128N42O41
and a molecular weight of 2682.48 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-5-[[(2R,3S,5R)-2-[[(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-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,5R)-2-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Frequently Asked Questions
What is the IUPAC name of 1-[(2R,4S,5R)-5-[[(2R,3S,5R)-2-[[(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-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,5R)-2-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-5-[[(2R,3S,5R)-2-[[(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-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,5R)-2-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 177435367) is 1-[(2R,4S,5R)-5-[[(2R,3S,5R)-2-[[(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-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,5R)-2-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-5-[[(2R,3S,5R)-2-[[(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-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,5R)-2-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-5-[[(2R,3S,5R)-2-[[(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-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,5R)-2-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@H]2C[C@H](OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3OC[C@H]3O[C@@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@@H]3OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3OC[C@H]3O[C@@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)[C@@H](CN)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,4S,5R)-5-[[(2R,3S,5R)-2-[[(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-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,5R)-2-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is GJWMALOAFSBRLZ-PROHYCLTSA-N. The full InChI is InChI=1S/C109H128N42O41/c1-35-12-142(106(168)137-88(35)160)55-7-39(152)44(183-55)16-172-41-9-57(144-14-37(3)90(162)139-108(144)170)184-45(41)17-175-75-50(189-97(67(75)155)147-30-125-60-80(113)119-27-122-83(60)147)22-180-77-52(190-98(68(77)156)148-31-126-61-81(114)120-28-123-84(61)148)24-181-78-53(192-101(71(78)159)151-34-129-64-87(151)133-104(117)136-94(64)166)25-179-74-49(186-95(65(74)153)141-6-5-54(111)130-105(141)167)21-177-72-48(187-96(66(72)154)146-29-124-59-79(112)118-26-121-82(59)146)20-174-42-10-58(145-15-38(4)91(163)140-109(145)171)185-46(42)18-176-76-51(191-100(70(76)158)150-33-128-63-86(150)132-103(116)135-93(63)165)23-178-73-47(188-99(69(73)157)149-32-127-62-85(149)131-102(115)134-92(62)164)19-173-40-8-56(182-43(40)11-110)143-13-36(2)89(161)138-107(143)169/h5-6,12-15,26-34,39-53,55-58,65-78,95-101,152-159H,7-11,16-25,110H2,1-4H3,(H2,111,130,167)(H2,112,118,121)(H2,113,119,122)(H2,114,120,123)(H,137,160,168)(H,138,161,169)(H,139,162,170)(H,140,163,171)(H3,115,131,134,164)(H3,116,132,135,165)(H3,117,133,136,166)/t39-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,55+,56+,57+,58+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,95+,96+,97+,98+,99+,100+,101+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-5-[[(2R,3S,5R)-2-[[(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-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,5R)-2-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(2R,4S,5R)-5-[[(2R,3S,5R)-2-[[(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-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,5R)-2-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 2682.48 g/mol, XLogP of -12.20, 42 rotatable bonds, 23 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-5-[[(2R,3S,5R)-2-[[(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-[[(2R,3S,4R,5R)-2-[[(2R,3S,4R,5R)-2-[[(2R,3S,5R)-2-(aminomethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 177435367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).