About [(2R,3S,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-5-[2-chloro-4-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxymethylphosphonic acid
[(2R,3S,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-5-[2-chloro-4-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxymethylphosphonic acid (PubChem CID 160602323) has the molecular formula C119H164Cl4N23O50P5
and a molecular weight of 3013.41 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-5-[2-chloro-4-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxymethylphosphonic acid.
Frequently Asked Questions
What is the IUPAC name of [(2R,3S,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-5-[2-chloro-4-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxymethylphosphonic acid?
The IUPAC name of [(2R,3S,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-5-[2-chloro-4-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxymethylphosphonic acid (CID 160602323) is [(2R,3S,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-5-[2-chloro-4-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxymethylphosphonic acid.
What is the SMILES notation for [(2R,3S,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-5-[2-chloro-4-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxymethylphosphonic acid?
The canonical SMILES for [(2R,3S,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-5-[2-chloro-4-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxymethylphosphonic acid is CC(C)OC(=O)OCOP(=O)(O)COC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O.Cc1ccc([C@@H](C)Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](COCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)[C@@H](O)[C@H]2O)cc1.Cc1ccc([C@H](C)Nc2nc(Cl)nc3c2ccn3[C@@H]2O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]2O)cc1.Cc1ccc([C@H](C)Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](COCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)[C@@H](O)[C@H]2O)cc1.Cc1nc(N2CCCC2)c2ccn([C@@H]3O[C@H](COCP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.
What is the InChIKey of [(2R,3S,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-5-[2-chloro-4-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxymethylphosphonic acid?
The InChIKey is RELCGTRZPSXYSX-ULUMRVABSA-N. The full InChI is InChI=1S/2C30H41ClN5O13P.C21H31ClN5O10P.C21H26ClN4O7P.C17H25N4O7P/c2*1-16(2)47-29(39)43-13-45-50(41,46-14-44-30(40)48-17(3)4)15-42-11-21-23(37)24(38)27(49-21)36-12-32-22-25(34-28(31)35-26(22)36)33-19(6)20-9-7-18(5)8-10-20;1-11(2)36-21(30)34-9-35-38(31,32)10-33-7-13-15(28)16(29)19(37-13)27-8-23-14-17(24-12-5-3-4-6-12)25-20(22)26-18(14)27;1-11-3-5-13(6-4-11)12(2)23-18-14-7-8-26(19(14)25-21(22)24-18)20-17(28)16(27)15(33-20)9-32-10-34(29,30)31;1-10-18-15(20-5-2-3-6-20)11-4-7-21(16(11)19-10)17-14(23)13(22)12(28-17)8-27-9-29(24,25)26/h2*7-10,12,16-17,19,21,23-24,27,37-38H,11,13-15H2,1-6H3,(H,33,34,35);8,11-13,15-16,19,28-29H,3-7,9-10H2,1-2H3,(H,31,32)(H,24,25,26);3-8,12,15-17,20,27-28H,9-10H2,1-2H3,(H,23,24,25)(H2,29,30,31);4,7,12-14,17,22-23H,2-3,5-6,8-9H2,1H3,(H2,24,25,26)/t19-,21+,23+,24+,27+;19-,21-,23-,24-,27-;13-,15-,16-,19-;12-,15+,16+,17+,20+;12-,13-,14-,17-/m01101/s1.
What are the key properties of [(2R,3S,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-5-[2-chloro-4-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxymethylphosphonic acid?
[(2R,3S,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-5-[2-chloro-4-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxymethylphosphonic acid has a molecular weight of 3013.41 g/mol, XLogP of 14.23, 57 rotatable bonds, 19 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-5-[2-chloro-6-(cyclopentylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphinic acid;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1R)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[[(2R,3S,4R,5R)-5-[2-chloro-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[(2R,3S,4R,5R)-5-[2-chloro-4-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-methyl-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxymethylphosphonic acid is sourced from PubChem (CID 160602323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).