About cyclohexyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(3-chloro-4-fluorophenoxy)phosphoryl]amino]propanoate;cyclohexyl 2-[[(3-chloro-4-fluorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(2-chlorophenoxy)phosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[(2-chlorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate
cyclohexyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(3-chloro-4-fluorophenoxy)phosphoryl]amino]propanoate;cyclohexyl 2-[[(3-chloro-4-fluorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(2-chlorophenoxy)phosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[(2-chlorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate (PubChem CID 158270333) has the molecular formula C135H175Cl4F7N27O40P5
and a molecular weight of 3245.70 g/mol. Its IUPAC name is cyclohexyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(3-chloro-4-fluorophenoxy)phosphoryl]amino]propanoate;cyclohexyl 2-[[(3-chloro-4-fluorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(2-chlorophenoxy)phosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[(2-chlorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate.
Frequently Asked Questions
What is the IUPAC name of cyclohexyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(3-chloro-4-fluorophenoxy)phosphoryl]amino]propanoate;cyclohexyl 2-[[(3-chloro-4-fluorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(2-chlorophenoxy)phosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[(2-chlorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate?
The IUPAC name of cyclohexyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(3-chloro-4-fluorophenoxy)phosphoryl]amino]propanoate;cyclohexyl 2-[[(3-chloro-4-fluorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(2-chlorophenoxy)phosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[(2-chlorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate (CID 158270333) is cyclohexyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(3-chloro-4-fluorophenoxy)phosphoryl]amino]propanoate;cyclohexyl 2-[[(3-chloro-4-fluorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(2-chlorophenoxy)phosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[(2-chlorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate.
What is the SMILES notation for cyclohexyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(3-chloro-4-fluorophenoxy)phosphoryl]amino]propanoate;cyclohexyl 2-[[(3-chloro-4-fluorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(2-chlorophenoxy)phosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[(2-chlorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate?
The canonical SMILES for cyclohexyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(3-chloro-4-fluorophenoxy)phosphoryl]amino]propanoate;cyclohexyl 2-[[(3-chloro-4-fluorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(2-chlorophenoxy)phosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[(2-chlorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate is CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(NC(C)C(=O)OC2CCCCC2)Oc2ccc(F)c(Cl)c2)[C@@H](F)[C@@]1(C)O.CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(NC(C)C(=O)OCC(C)(C)C)Oc2ccccc2Cl)[C@@H](F)[C@@]1(C)O.Cc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(NC(C)C(=O)OC3CCCCC3)Oc3ccc(F)c(Cl)c3)[C@@H](F)[C@@]2(C)O)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(NC(C)C(=O)OC3CCCCC3)Oc3ccccc3)[C@@H](F)[C@@]2(C)O)c(=O)[nH]1.Cc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(NC(C)C(=O)OCC(C)(C)C)Oc3ccccc3Cl)[C@@H](F)[C@@]2(C)O)c(=O)[nH]1.
What is the InChIKey of cyclohexyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(3-chloro-4-fluorophenoxy)phosphoryl]amino]propanoate;cyclohexyl 2-[[(3-chloro-4-fluorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(2-chlorophenoxy)phosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[(2-chlorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate?
The InChIKey is GIYINTFZSYDMMZ-OFNRXUCMSA-N. The full InChI is InChI=1S/C28H36ClF2N6O8P.C27H33ClF2N5O8P.C27H37ClFN6O8P.C27H35FN5O8P.C26H34ClFN5O8P/c1-4-41-24-21-23(34-27(32)35-24)37(14-33-21)26-28(3,39)22(31)20(44-26)13-42-46(40,45-17-10-11-19(30)18(29)12-17)36-15(2)25(38)43-16-8-6-5-7-9-16;1-14(25(37)41-16-7-5-4-6-8-16)34-44(39,43-17-9-10-19(29)18(28)11-17)40-12-20-22(30)27(3,38)26(42-20)35-13-31-21-23(35)32-15(2)33-24(21)36;1-7-39-22-19-21(32-25(30)33-22)35(14-31-19)24-27(6,37)20(29)18(42-24)12-41-44(38,43-17-11-9-8-10-16(17)28)34-15(2)23(36)40-13-26(3,4)5;1-16(25(35)39-18-10-6-4-7-11-18)32-42(37,41-19-12-8-5-9-13-19)38-14-20-22(28)27(3,36)26(40-20)33-15-29-21-23(33)30-17(2)31-24(21)34;1-14(23(35)38-12-25(3,4)5)32-42(37,41-17-10-8-7-9-16(17)27)39-11-18-20(28)26(6,36)24(40-18)33-13-29-19-21(33)30-15(2)31-22(19)34/h10-12,14-16,20,22,26,39H,4-9,13H2,1-3H3,(H,36,40)(H2,32,34,35);9-11,13-14,16,20,22,26,38H,4-8,12H2,1-3H3,(H,34,39)(H,32,33,36);8-11,14-15,18,20,24,37H,7,12-13H2,1-6H3,(H,34,38)(H2,30,32,33);5,8-9,12-13,15-16,18,20,22,26,36H,4,6-7,10-11,14H2,1-3H3,(H,32,37)(H,30,31,34);7-10,13-14,18,20,24,36H,11-12H2,1-6H3,(H,32,37)(H,30,31,34)/t15?,20-,22-,26-,28-,46?;14?,20-,22-,26-,27-,44?;15?,18-,20-,24-,27-,44?;16?,20-,22-,26-,27-,42?;14?,18-,20-,24-,26-,42?/m11111/s1.
What are the key properties of cyclohexyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(3-chloro-4-fluorophenoxy)phosphoryl]amino]propanoate;cyclohexyl 2-[[(3-chloro-4-fluorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(2-chlorophenoxy)phosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[(2-chlorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate?
cyclohexyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(3-chloro-4-fluorophenoxy)phosphoryl]amino]propanoate;cyclohexyl 2-[[(3-chloro-4-fluorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(2-chlorophenoxy)phosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[(2-chlorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate has a molecular weight of 3245.70 g/mol, XLogP of 20.44, 54 rotatable bonds, 15 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(3-chloro-4-fluorophenoxy)phosphoryl]amino]propanoate;cyclohexyl 2-[[(3-chloro-4-fluorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate;cyclohexyl 2-[[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(2R,3R,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-(2-chlorophenoxy)phosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[(2-chlorophenoxy)-[[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-4-methyl-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy]phosphoryl]amino]propanoate is sourced from PubChem (CID 158270333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).