About (2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2-ethyl-4-ethynyl-2,4-difluorooxolan-3-ol;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2R,3S,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;bis(cyclohexyl (2S)-2-aminopropanoate);bis(6-ethoxy-9-[(2R,3S,4S,5S)-5-ethyl-3-ethynyl-3,5-difluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine);6-ethoxy-9-[(2R,3S,4S,5R)-3-ethynyl-3,5-difluoro-5-(iodomethyl)-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methyl-oxophosphanium;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(iodomethyl)oxolan-3-ol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methanol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methyl-oxophosphanium
(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2-ethyl-4-ethynyl-2,4-difluorooxolan-3-ol;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2R,3S,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;bis(cyclohexyl (2S)-2-aminopropanoate);bis(6-ethoxy-9-[(2R,3S,4S,5S)-5-ethyl-3-ethynyl-3,5-difluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine);6-ethoxy-9-[(2R,3S,4S,5R)-3-ethynyl-3,5-difluoro-5-(iodomethyl)-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methyl-oxophosphanium;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(iodomethyl)oxolan-3-ol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methanol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methyl-oxophosphanium (PubChem CID 158041945) has the molecular formula C363H383F22I2N59O53P4+2
and a molecular weight of 7216.08 g/mol. Its IUPAC name is (2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2-ethyl-4-ethynyl-2,4-difluorooxolan-3-ol;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2R,3S,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;bis(cyclohexyl (2S)-2-aminopropanoate);bis(6-ethoxy-9-[(2R,3S,4S,5S)-5-ethyl-3-ethynyl-3,5-difluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine);6-ethoxy-9-[(2R,3S,4S,5R)-3-ethynyl-3,5-difluoro-5-(iodomethyl)-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methyl-oxophosphanium;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(iodomethyl)oxolan-3-ol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methanol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methyl-oxophosphanium.
Frequently Asked Questions
What is the IUPAC name of (2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2-ethyl-4-ethynyl-2,4-difluorooxolan-3-ol;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2R,3S,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;bis(cyclohexyl (2S)-2-aminopropanoate);bis(6-ethoxy-9-[(2R,3S,4S,5S)-5-ethyl-3-ethynyl-3,5-difluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine);6-ethoxy-9-[(2R,3S,4S,5R)-3-ethynyl-3,5-difluoro-5-(iodomethyl)-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methyl-oxophosphanium;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(iodomethyl)oxolan-3-ol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methanol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methyl-oxophosphanium?
The IUPAC name of (2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2-ethyl-4-ethynyl-2,4-difluorooxolan-3-ol;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2R,3S,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;bis(cyclohexyl (2S)-2-aminopropanoate);bis(6-ethoxy-9-[(2R,3S,4S,5S)-5-ethyl-3-ethynyl-3,5-difluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine);6-ethoxy-9-[(2R,3S,4S,5R)-3-ethynyl-3,5-difluoro-5-(iodomethyl)-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methyl-oxophosphanium;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(iodomethyl)oxolan-3-ol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methanol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methyl-oxophosphanium (CID 158041945) is (2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2-ethyl-4-ethynyl-2,4-difluorooxolan-3-ol;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2R,3S,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;bis(cyclohexyl (2S)-2-aminopropanoate);bis(6-ethoxy-9-[(2R,3S,4S,5S)-5-ethyl-3-ethynyl-3,5-difluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine);6-ethoxy-9-[(2R,3S,4S,5R)-3-ethynyl-3,5-difluoro-5-(iodomethyl)-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methyl-oxophosphanium;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(iodomethyl)oxolan-3-ol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methanol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methyl-oxophosphanium.
What is the SMILES notation for (2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2-ethyl-4-ethynyl-2,4-difluorooxolan-3-ol;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2R,3S,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;bis(cyclohexyl (2S)-2-aminopropanoate);bis(6-ethoxy-9-[(2R,3S,4S,5S)-5-ethyl-3-ethynyl-3,5-difluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine);6-ethoxy-9-[(2R,3S,4S,5R)-3-ethynyl-3,5-difluoro-5-(iodomethyl)-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methyl-oxophosphanium;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(iodomethyl)oxolan-3-ol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methanol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methyl-oxophosphanium?
The canonical SMILES for (2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2-ethyl-4-ethynyl-2,4-difluorooxolan-3-ol;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2R,3S,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;bis(cyclohexyl (2S)-2-aminopropanoate);bis(6-ethoxy-9-[(2R,3S,4S,5S)-5-ethyl-3-ethynyl-3,5-difluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine);6-ethoxy-9-[(2R,3S,4S,5R)-3-ethynyl-3,5-difluoro-5-(iodomethyl)-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methyl-oxophosphanium;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(iodomethyl)oxolan-3-ol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methanol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methyl-oxophosphanium is C#C[C@]1(F)[C@H](n2cnc3c(OCC)nc(N)nc32)O[C@](F)(CC)[C@H]1O.C#C[C@]1(F)[C@H](n2cnc3c(OCC)nc(N)nc32)O[C@](F)(COP(C)(=O)N[C@@H](C)C(=O)OC2CCCCC2)[C@H]1C.C#C[C@]1(F)[C@H](n2cnc3c(OCC)nc(N)nc32)O[C@](F)(COP(C)(=O)N[C@@H](C)C(=O)OC2CCCCC2)[C@H]1O.C#C[C@]1(F)[C@H](n2cnc3c(OCC)nc(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc32)O[C@](F)(CC)[C@H]1C.C#C[C@]1(F)[C@H](n2cnc3c(OCC)nc(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc32)O[C@](F)(CC)[C@H]1C.C#C[C@]1(F)[C@H](n2cnc3c(OCC)nc(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc32)O[C@](F)(CI)[C@H]1C.C#C[C@]1(F)[C@H](n2cnc3c(OCC)nc(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc32)O[C@](F)(CI)[C@H]1O.C#C[C@]1(F)[C@H](n2cnc3c(OCC)nc(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc32)O[C@](F)(CO)[C@H]1C.C#C[C@]1(F)[C@H](n2cnc3c(OCC)nc(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc32)O[C@](F)(CO)[C@H]1O.C#C[C@]1(F)[C@H](n2cnc3c(OCC)nc(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc32)O[C@](F)(CO[P+](C)=O)[C@H]1C.C#C[C@]1(F)[C@H](n2cnc3c(OCC)nc(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc32)O[C@](F)(CO[P+](C)=O)[C@H]1O.C[C@H](N)C(=O)OC1CCCCC1.C[C@H](N)C(=O)OC1CCCCC1.
What is the InChIKey of (2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2-ethyl-4-ethynyl-2,4-difluorooxolan-3-ol;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2R,3S,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;bis(cyclohexyl (2S)-2-aminopropanoate);bis(6-ethoxy-9-[(2R,3S,4S,5S)-5-ethyl-3-ethynyl-3,5-difluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine);6-ethoxy-9-[(2R,3S,4S,5R)-3-ethynyl-3,5-difluoro-5-(iodomethyl)-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methyl-oxophosphanium;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(iodomethyl)oxolan-3-ol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methanol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methyl-oxophosphanium?
The InChIKey is FBOCJWPRJAILIO-MKFSOAOYSA-N. The full InChI is InChI=1S/C36H35F2N5O5P.2C36H35F2N5O3.C35H32F2IN5O3.C35H33F2N5O6P.C35H33F2N5O4.C34H30F2IN5O4.C34H31F2N5O5.C25H35F2N6O6P.C24H33F2N6O7P.C15H17F2N5O3.2C9H17NO2/c1-6-34(37)24(3)35(38,22-47-49(5)44)48-32(34)43-23-39-29-30(43)40-33(41-31(29)46-7-2)42-36(25-14-10-8-11-15-25,26-16-12-9-13-17-26)27-18-20-28(45-4)21-19-27;2*1-6-34(37)24(4)35(38,7-2)46-32(34)43-23-39-29-30(43)40-33(41-31(29)45-8-3)42-36(25-15-11-9-12-16-25,26-17-13-10-14-18-26)27-19-21-28(44-5)22-20-27;1-5-33(36)23(3)34(37,21-38)46-31(33)43-22-39-28-29(43)40-32(41-30(28)45-6-2)42-35(24-13-9-7-10-14-24,25-15-11-8-12-16-25)26-17-19-27(44-4)20-18-26;1-5-33(36)30(43)34(37,21-47-49(4)44)48-31(33)42-22-38-27-28(42)39-32(40-29(27)46-6-2)41-35(23-13-9-7-10-14-23,24-15-11-8-12-16-24)25-17-19-26(45-3)20-18-25;1-5-33(36)23(3)34(37,21-43)46-31(33)42-22-38-28-29(42)39-32(40-30(28)45-6-2)41-35(24-13-9-7-10-14-24,25-15-11-8-12-16-25)26-17-19-27(44-4)20-18-26;1-4-32(35)29(43)33(36,20-37)46-30(32)42-21-38-26-27(42)39-31(40-28(26)45-5-2)41-34(22-12-8-6-9-13-22,23-14-10-7-11-15-23)24-16-18-25(44-3)19-17-24;1-4-32(35)29(43)33(36,20-42)46-30(32)41-21-37-26-27(41)38-31(39-28(26)45-5-2)40-34(22-12-8-6-9-13-22,23-14-10-7-11-15-23)24-16-18-25(44-3)19-17-24;1-6-24(26)16(4)25(27,13-37-40(5,35)32-15(3)21(34)38-17-11-9-8-10-12-17)39-22(24)33-14-29-18-19(33)30-23(28)31-20(18)36-7-2;1-5-23(25)20(34)24(26,12-37-40(4,35)31-14(3)19(33)38-15-10-8-7-9-11-15)39-21(23)32-13-28-16-17(32)29-22(27)30-18(16)36-6-2;1-4-14(16)11(23)15(17,5-2)25-12(14)22-7-19-8-9(22)20-13(18)21-10(8)24-6-3;2*1-7(10)9(11)12-8-5-3-2-4-6-8/h1,8-21,23-24,32H,7,22H2,2-5H3,(H,40,41,42);2*1,9-24,32H,7-8H2,2-5H3,(H,40,41,42);1,7-20,22-23,31H,6,21H2,2-4H3,(H,40,41,42);1,7-20,22,30-31,43H,6,21H2,2-4H3,(H,39,40,41);1,7-20,22-23,31,43H,6,21H2,2-4H3,(H,39,40,41);1,6-19,21,29-30,43H,5,20H2,2-3H3,(H,39,40,41);1,6-19,21,29-30,42-43H,5,20H2,2-3H3,(H,38,39,40);1,14-17,22H,7-13H2,2-5H3,(H,32,35)(H2,28,30,31);1,13-15,20-21,34H,6-12H2,2-4H3,(H,31,35)(H2,27,29,30);1,7,11-12,23H,5-6H2,2-3H3,(H2,18,20,21);2*7-8H,2-6,10H2,1H3/q+1;;;;+1;;;;;;;;/t3*24-,32+,34+,35+;23-,31+,33+,34+;30-,31+,33+,34+;23-,31+,33+,34+;2*29-,30+,32+,33+;15-,16-,22+,24+,25+,40?;14-,20-,21+,23+,24+,40?;11-,12+,14+,15+;2*7-/m0000000000000/s1.
What are the key properties of (2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2-ethyl-4-ethynyl-2,4-difluorooxolan-3-ol;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2R,3S,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;bis(cyclohexyl (2S)-2-aminopropanoate);bis(6-ethoxy-9-[(2R,3S,4S,5S)-5-ethyl-3-ethynyl-3,5-difluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine);6-ethoxy-9-[(2R,3S,4S,5R)-3-ethynyl-3,5-difluoro-5-(iodomethyl)-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methyl-oxophosphanium;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(iodomethyl)oxolan-3-ol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methanol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methyl-oxophosphanium?
(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2-ethyl-4-ethynyl-2,4-difluorooxolan-3-ol;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2R,3S,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;bis(cyclohexyl (2S)-2-aminopropanoate);bis(6-ethoxy-9-[(2R,3S,4S,5S)-5-ethyl-3-ethynyl-3,5-difluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine);6-ethoxy-9-[(2R,3S,4S,5R)-3-ethynyl-3,5-difluoro-5-(iodomethyl)-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methyl-oxophosphanium;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(iodomethyl)oxolan-3-ol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methanol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methyl-oxophosphanium has a molecular weight of 7216.08 g/mol, XLogP of 60.71, 112 rotatable bonds, 22 hydrogen bond donors, and 110 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2-ethyl-4-ethynyl-2,4-difluorooxolan-3-ol;cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;cyclohexyl (2S)-2-[[[(2R,3S,4S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methylphosphoryl]amino]propanoate;bis(cyclohexyl (2S)-2-aminopropanoate);bis(6-ethoxy-9-[(2R,3S,4S,5S)-5-ethyl-3-ethynyl-3,5-difluoro-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine);6-ethoxy-9-[(2R,3S,4S,5R)-3-ethynyl-3,5-difluoro-5-(iodomethyl)-4-methyloxolan-2-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-2-amine;(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(hydroxymethyl)oxolan-3-ol;[(2S,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-methyl-oxophosphanium;(2R,3S,4R,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-2-(iodomethyl)oxolan-3-ol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methanol;[(2R,3S,4S,5R)-5-[6-ethoxy-2-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]-4-ethynyl-2,4-difluoro-3-methyloxolan-2-yl]methoxy-methyl-oxophosphanium is sourced from PubChem (CID 158041945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).