About [(2R,3S)-5-[3-(2-azidoethyl)-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] tert-butyl carbonate;tert-butyl [(2R,3S)-5-[3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;tert-butyl [(2R,3S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;deuterio(fluoro)methane;ethyl 4-methylbenzenesulfonate;3-[2-[4-(fluoromethyl)triazol-1-yl]ethyl]-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane;2-[4-[[5-methyl-3-[(4S,5R)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl]triazol-1-yl]ethyl 4-methylbenzenesulfonate
[(2R,3S)-5-[3-(2-azidoethyl)-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] tert-butyl carbonate;tert-butyl [(2R,3S)-5-[3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;tert-butyl [(2R,3S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;deuterio(fluoro)methane;ethyl 4-methylbenzenesulfonate;3-[2-[4-(fluoromethyl)triazol-1-yl]ethyl]-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane;2-[4-[[5-methyl-3-[(4S,5R)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl]triazol-1-yl]ethyl 4-methylbenzenesulfonate (PubChem CID 157183182) has the molecular formula C127H190F2N22O48S2
and a molecular weight of 2896.16 g/mol. Its IUPAC name is [(2R,3S)-5-[3-(2-azidoethyl)-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] tert-butyl carbonate;tert-butyl [(2R,3S)-5-[3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;tert-butyl [(2R,3S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;deuterio(fluoro)methane;ethyl 4-methylbenzenesulfonate;3-[2-[4-(fluoromethyl)triazol-1-yl]ethyl]-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane;2-[4-[[5-methyl-3-[(4S,5R)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl]triazol-1-yl]ethyl 4-methylbenzenesulfonate.
Frequently Asked Questions
What is the IUPAC name of [(2R,3S)-5-[3-(2-azidoethyl)-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] tert-butyl carbonate;tert-butyl [(2R,3S)-5-[3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;tert-butyl [(2R,3S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;deuterio(fluoro)methane;ethyl 4-methylbenzenesulfonate;3-[2-[4-(fluoromethyl)triazol-1-yl]ethyl]-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane;2-[4-[[5-methyl-3-[(4S,5R)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl]triazol-1-yl]ethyl 4-methylbenzenesulfonate?
The IUPAC name of [(2R,3S)-5-[3-(2-azidoethyl)-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] tert-butyl carbonate;tert-butyl [(2R,3S)-5-[3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;tert-butyl [(2R,3S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;deuterio(fluoro)methane;ethyl 4-methylbenzenesulfonate;3-[2-[4-(fluoromethyl)triazol-1-yl]ethyl]-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane;2-[4-[[5-methyl-3-[(4S,5R)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl]triazol-1-yl]ethyl 4-methylbenzenesulfonate (CID 157183182) is [(2R,3S)-5-[3-(2-azidoethyl)-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] tert-butyl carbonate;tert-butyl [(2R,3S)-5-[3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;tert-butyl [(2R,3S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;deuterio(fluoro)methane;ethyl 4-methylbenzenesulfonate;3-[2-[4-(fluoromethyl)triazol-1-yl]ethyl]-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane;2-[4-[[5-methyl-3-[(4S,5R)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl]triazol-1-yl]ethyl 4-methylbenzenesulfonate.
What is the SMILES notation for [(2R,3S)-5-[3-(2-azidoethyl)-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] tert-butyl carbonate;tert-butyl [(2R,3S)-5-[3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;tert-butyl [(2R,3S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;deuterio(fluoro)methane;ethyl 4-methylbenzenesulfonate;3-[2-[4-(fluoromethyl)triazol-1-yl]ethyl]-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane;2-[4-[[5-methyl-3-[(4S,5R)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl]triazol-1-yl]ethyl 4-methylbenzenesulfonate?
The canonical SMILES for [(2R,3S)-5-[3-(2-azidoethyl)-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] tert-butyl carbonate;tert-butyl [(2R,3S)-5-[3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;tert-butyl [(2R,3S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;deuterio(fluoro)methane;ethyl 4-methylbenzenesulfonate;3-[2-[4-(fluoromethyl)triazol-1-yl]ethyl]-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane;2-[4-[[5-methyl-3-[(4S,5R)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl]triazol-1-yl]ethyl 4-methylbenzenesulfonate is C.C.C.CCOS(=O)(=O)c1ccc(C)cc1.Cc1ccc(S(=O)(=O)OCCn2cc(Cn3c(=O)c(C)cn(C4C[C@H](OC(=O)OC(C)(C)C)[C@@H](COC(=O)OC(C)(C)C)O4)c3=O)nn2)cc1.Cc1cn(C2C[C@H](O)[C@@H](CO)O2)c(=O)n(CCn2cc(CF)nn2)c1=O.Cc1cn(C2C[C@H](OC(=O)OC(C)(C)C)[C@@H](COC(=O)OC(C)(C)C)O2)c(=O)[nH]c1=O.Cc1cn(C2C[C@H](OC(=O)OC(C)(C)C)[C@@H](COC(=O)OC(C)(C)C)O2)c(=O)n(CCN=[N+]=[N-])c1=O.Cc1cn(C2C[C@H](OC(=O)OC(C)(C)C)[C@@H](COC(=O)OC(C)(C)C)O2)c(=O)n(CCn2cc(CO)nn2)c1=O.[2H]CF.
What is the InChIKey of [(2R,3S)-5-[3-(2-azidoethyl)-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] tert-butyl carbonate;tert-butyl [(2R,3S)-5-[3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;tert-butyl [(2R,3S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;deuterio(fluoro)methane;ethyl 4-methylbenzenesulfonate;3-[2-[4-(fluoromethyl)triazol-1-yl]ethyl]-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane;2-[4-[[5-methyl-3-[(4S,5R)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl]triazol-1-yl]ethyl 4-methylbenzenesulfonate?
The InChIKey is AOULIFOIPXCONB-KFZJKTGUSA-N. The full InChI is InChI=1S/C32H43N5O12S.C25H37N5O10.C22H33N5O9.C20H30N2O9.C15H20FN5O5.C9H12O3S.CH3F.3CH4/c1-20-9-11-23(12-10-20)50(42,43)45-14-13-35-17-22(33-34-35)18-37-27(38)21(2)16-36(28(37)39)26-15-24(47-30(41)49-32(6,7)8)25(46-26)19-44-29(40)48-31(3,4)5;1-15-11-30(21(33)29(20(15)32)9-8-28-12-16(13-31)26-27-28)19-10-17(38-23(35)40-25(5,6)7)18(37-19)14-36-22(34)39-24(2,3)4;1-13-11-27(18(29)26(17(13)28)9-8-24-25-23)16-10-14(34-20(31)36-22(5,6)7)15(33-16)12-32-19(30)35-21(2,3)4;1-11-9-22(16(24)21-15(11)23)14-8-12(29-18(26)31-20(5,6)7)13(28-14)10-27-17(25)30-19(2,3)4;1-9-6-21(13-4-11(23)12(8-22)26-13)15(25)20(14(9)24)3-2-19-7-10(5-16)17-18-19;1-3-12-13(10,11)9-6-4-8(2)5-7-9;1-2;;;/h9-12,16-17,24-26H,13-15,18-19H2,1-8H3;11-12,17-19,31H,8-10,13-14H2,1-7H3;11,14-16H,8-10,12H2,1-7H3;9,12-14H,8,10H2,1-7H3,(H,21,23,24);6-7,11-13,22-23H,2-5,8H2,1H3;4-7H,3H2,1-2H3;1H3;3*1H4/t24-,25+,26?;17-,18+,19?;14-,15+,16?;12-,13+,14?;11-,12+,13?;;;;;/m00000...../s1/i;;;;;;1D;;;.
What are the key properties of [(2R,3S)-5-[3-(2-azidoethyl)-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] tert-butyl carbonate;tert-butyl [(2R,3S)-5-[3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;tert-butyl [(2R,3S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;deuterio(fluoro)methane;ethyl 4-methylbenzenesulfonate;3-[2-[4-(fluoromethyl)triazol-1-yl]ethyl]-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane;2-[4-[[5-methyl-3-[(4S,5R)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl]triazol-1-yl]ethyl 4-methylbenzenesulfonate?
[(2R,3S)-5-[3-(2-azidoethyl)-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] tert-butyl carbonate;tert-butyl [(2R,3S)-5-[3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;tert-butyl [(2R,3S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;deuterio(fluoro)methane;ethyl 4-methylbenzenesulfonate;3-[2-[4-(fluoromethyl)triazol-1-yl]ethyl]-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane;2-[4-[[5-methyl-3-[(4S,5R)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl]triazol-1-yl]ethyl 4-methylbenzenesulfonate has a molecular weight of 2896.16 g/mol, XLogP of 13.42, 39 rotatable bonds, 4 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-[3-(2-azidoethyl)-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] tert-butyl carbonate;tert-butyl [(2R,3S)-5-[3-[2-[4-(hydroxymethyl)triazol-1-yl]ethyl]-5-methyl-2,4-dioxopyrimidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;tert-butyl [(2R,3S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-3-yl] carbonate;deuterio(fluoro)methane;ethyl 4-methylbenzenesulfonate;3-[2-[4-(fluoromethyl)triazol-1-yl]ethyl]-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane;2-[4-[[5-methyl-3-[(4S,5R)-4-[(2-methylpropan-2-yl)oxycarbonyloxy]-5-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]oxolan-2-yl]-2,6-dioxopyrimidin-1-yl]methyl]triazol-1-yl]ethyl 4-methylbenzenesulfonate is sourced from PubChem (CID 157183182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).