About [[(2R,5R)-5-[4-amino-3-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]pyrrolo[2,3-b]pyridin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[5-[[1-(4,5-dimethoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
[[(2R,5R)-5-[4-amino-3-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]pyrrolo[2,3-b]pyridin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[5-[[1-(4,5-dimethoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate (PubChem CID 161334345) has the molecular formula C101H142N16O68P12
and a molecular weight of 3039.98 g/mol. Its IUPAC name is [[(2R,5R)-5-[4-amino-3-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]pyrrolo[2,3-b]pyridin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[5-[[1-(4,5-dimethoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate.
Frequently Asked Questions
What is the IUPAC name of [[(2R,5R)-5-[4-amino-3-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]pyrrolo[2,3-b]pyridin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[5-[[1-(4,5-dimethoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate?
The IUPAC name of [[(2R,5R)-5-[4-amino-3-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]pyrrolo[2,3-b]pyridin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[5-[[1-(4,5-dimethoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate (CID 161334345) is [[(2R,5R)-5-[4-amino-3-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]pyrrolo[2,3-b]pyridin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[5-[[1-(4,5-dimethoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate.
What is the SMILES notation for [[(2R,5R)-5-[4-amino-3-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]pyrrolo[2,3-b]pyridin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[5-[[1-(4,5-dimethoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate?
The canonical SMILES for [[(2R,5R)-5-[4-amino-3-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]pyrrolo[2,3-b]pyridin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[5-[[1-(4,5-dimethoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate is COc1cc(C(OCc2cn([C@H]3CC(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)c3nc(C)[nH]c(=O)c23)C(C)(C)C)c([N+](=O)[O-])cc1OC.COc1ccc([N+](=O)[O-])c(C(OCc2cn([C@H]3CC(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)c3nc(C)[nH]c(=O)c23)C(C)(C)C)c1.COc1ccc([N+](=O)[O-])c([C@@H](OCc2cn([C@H]3CC(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)c3nc(C)[nH]c(=O)c23)C(C)(C)C)c1.COc1ccc([N+](=O)[O-])c([C@@H](OCc2cn([C@H]3CC(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)c3nccc(N)c23)C(C)(C)C)c1.
What is the InChIKey of [[(2R,5R)-5-[4-amino-3-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]pyrrolo[2,3-b]pyridin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[5-[[1-(4,5-dimethoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate?
The InChIKey is VLVGFNWLKKDIJE-BLEBSFJOSA-N. The full InChI is InChI=1S/C26H37N4O18P3.2C25H35N4O17P3.C25H35N4O16P3/c1-13-27-24-22(25(32)28-13)14(11-44-23(26(2,3)4)15-7-18(42-5)19(43-6)8-16(15)30(33)34)10-29(24)21-9-17(31)20(46-21)12-45-50(38,39)48-51(40,41)47-49(35,36)37;2*1-13-26-23-21(24(31)27-13)14(11-42-22(25(2,3)4)16-8-15(41-5)6-7-17(16)29(32)33)10-28(23)20-9-18(30)19(44-20)12-43-48(37,38)46-49(39,40)45-47(34,35)36;1-25(2,3)23(16-9-15(40-4)5-6-18(16)29(31)32)41-12-14-11-28(24-22(14)17(26)7-8-27-24)21-10-19(30)20(43-21)13-42-47(36,37)45-48(38,39)44-46(33,34)35/h7-8,10,17,20-21,23,31H,9,11-12H2,1-6H3,(H,38,39)(H,40,41)(H,27,28,32)(H2,35,36,37);2*6-8,10,18-20,22,30H,9,11-12H2,1-5H3,(H,37,38)(H,39,40)(H,26,27,31)(H2,34,35,36);5-9,11,19-21,23,30H,10,12-13H2,1-4H3,(H2,26,27)(H,36,37)(H,38,39)(H2,33,34,35)/t17?,20-,21-,23?;18?,19-,20-,22?;18?,19-,20-,22-;19?,20-,21-,23-/m1111/s1.
What are the key properties of [[(2R,5R)-5-[4-amino-3-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]pyrrolo[2,3-b]pyridin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[5-[[1-(4,5-dimethoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate?
[[(2R,5R)-5-[4-amino-3-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]pyrrolo[2,3-b]pyridin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[5-[[1-(4,5-dimethoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate has a molecular weight of 3039.98 g/mol, XLogP of 13.58, 57 rotatable bonds, 24 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R,5R)-5-[4-amino-3-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]pyrrolo[2,3-b]pyridin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,5R)-5-[5-[[1-(4,5-dimethoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[(1S)-1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate;[hydroxy-[[(2R,5R)-3-hydroxy-5-[5-[[1-(5-methoxy-2-nitrophenyl)-2,2-dimethylpropoxy]methyl]-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate is sourced from PubChem (CID 161334345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).