About (2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(S)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(R)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(S)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(R)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol (PubChem CID 159263043) has the molecular formula C118H112Cl2F22N20O24
and a molecular weight of 2683.17 g/mol. Its IUPAC name is (2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(S)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(R)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.
Frequently Asked Questions
What is the IUPAC name of (2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(S)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(R)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(S)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(R)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol (CID 159263043) is (2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(S)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(R)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(S)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(R)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(S)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(R)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol is C[C@@]1(O)[C@@H]([C@@H](O)c2ccc(F)c(C(F)F)c2F)O[C@@H](n2ccc3c(N)ncnc32)[C@@H]1O.C[C@@]1(O)[C@@H]([C@H](O)c2ccc(F)c(C(F)F)c2F)O[C@@H](n2ccc3c(N)ncnc32)[C@@H]1O.Cc1ncnc2c1ccn2[C@@H]1O[C@H]([C@@H](O)c2cc(Cl)cc(C(F)(F)F)c2)[C@@](C)(O)[C@H]1O.Cc1ncnc2c1ccn2[C@@H]1O[C@H]([C@@H](O)c2cc(F)c(F)c(C(F)F)c2)[C@@](C)(O)[C@H]1O.Cc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2cc(Cl)cc(C(F)(F)F)c2)[C@@](C)(O)[C@H]1O.Cc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2cc(F)c(F)c(C(F)F)c2)[C@@](C)(O)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(S)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(R)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The InChIKey is KWTDOPYCMMXHOT-UOVNPPEBSA-N. The full InChI is InChI=1S/2C20H19ClF3N3O4.2C20H19F4N3O4.2C19H18F4N4O4/c2*1-9-13-3-4-27(17(13)26-8-25-9)18-15(29)19(2,30)16(31-18)14(28)10-5-11(20(22,23)24)7-12(21)6-10;2*1-8-10-3-4-27(18(10)26-7-25-8)19-15(29)20(2,30)16(31-19)14(28)9-5-11(17(23)24)13(22)12(21)6-9;2*1-19(30)13(29)18(27-5-4-8-16(24)25-6-26-17(8)27)31-14(19)12(28)7-2-3-9(20)10(11(7)21)15(22)23/h2*3-8,14-16,18,28-30H,1-2H3;2*3-7,14-17,19,28-30H,1-2H3;2*2-6,12-15,18,28-30H,1H3,(H2,24,25,26)/t14-,15+,16-,18-,19+;14-,15-,16+,18+,19-;14-,15+,16-,19-,20+;14-,15-,16+,19+,20-;12-,13+,14-,18-,19+;12-,13-,14+,18+,19-/m101010/s1.
What are the key properties of (2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(S)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(R)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(S)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(R)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol has a molecular weight of 2683.17 g/mol, XLogP of 15.65, 22 rotatable bonds, 20 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(S)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-[(R)-[3-(difluoromethyl)-2,4-difluorophenyl]-hydroxymethyl]-3-methyloxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-chloro-5-(trifluoromethyl)phenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(S)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol;(2R,3S,4R,5R)-2-[(R)-[3-(difluoromethyl)-4,5-difluorophenyl]-hydroxymethyl]-3-methyl-5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol is sourced from PubChem (CID 159263043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).