About (2R,3R,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-imidazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
(2R,3R,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-imidazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (PubChem CID 159297141) has the molecular formula C125H138N38O34S3
and a molecular weight of 2812.91 g/mol. Its IUPAC name is (2R,3R,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-imidazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.
Frequently Asked Questions
What is the IUPAC name of (2R,3R,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-imidazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-imidazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (CID 159297141) is (2R,3R,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-imidazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-imidazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-imidazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is C[C@@]1(O)C(O)[C@@H](CO)O[C@H]1n1cc(-c2cc3ccccc3o2)c2c(N)ncnc21.C[C@@]1(O)C(O)[C@@H](CO)O[C@H]1n1cc(-c2cccs2)c2c(N)ncnc21.C[C@@]1(O)C(O)[C@@H](CO)O[C@H]1n1cc(-c2ccoc2)c2c(N)ncnc21.C[C@@]1(O)C(O)[C@@H](CO)O[C@H]1n1cc(-c2ccsc2)c2c(N)ncnc21.Nc1ncnc2c1c(-c1ncc[nH]1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(-c1nccs1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(C1=CCC=N1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.Nc1ncnc2c1c(C1=CCN=N1)cn2[C@@H]1O[C@H](CO)C(O)[C@@H]1O.
What is the InChIKey of (2R,3R,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-imidazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The InChIKey is LAWFWCOEAWFZRC-ITQJUJRMSA-N. The full InChI is InChI=1S/C20H20N4O5.C16H18N4O5.2C16H18N4O4S.C15H17N5O4.2C14H16N6O4.C14H15N5O4S/c1-20(27)16(26)14(8-25)29-19(20)24-7-11(15-17(21)22-9-23-18(15)24)13-6-10-4-2-3-5-12(10)28-13;1-16(23)12(22)10(5-21)25-15(16)20-4-9(8-2-3-24-6-8)11-13(17)18-7-19-14(11)20;1-16(23)12(22)10(5-21)24-15(16)20-4-9(8-2-3-25-6-8)11-13(17)18-7-19-14(11)20;1-16(23)12(22)9(6-21)24-15(16)20-5-8(10-3-2-4-25-10)11-13(17)18-7-19-14(11)20;16-13-10-7(8-2-1-3-17-8)4-20(14(10)19-6-18-13)15-12(23)11(22)9(5-21)24-15;15-11-8-6(12-16-1-2-17-12)3-20(13(8)19-5-18-11)14-10(23)9(22)7(4-21)24-14;15-12-9-6(7-1-2-18-19-7)3-20(13(9)17-5-16-12)14-11(23)10(22)8(4-21)24-14;15-11-8-6(13-16-1-2-24-13)3-19(12(8)18-5-17-11)14-10(22)9(21)7(4-20)23-14/h2-7,9,14,16,19,25-27H,8H2,1H3,(H2,21,22,23);2*2-4,6-7,10,12,15,21-23H,5H2,1H3,(H2,17,18,19);2-5,7,9,12,15,21-23H,6H2,1H3,(H2,17,18,19);2-4,6,9,11-12,15,21-23H,1,5H2,(H2,16,18,19);1-3,5,7,9-10,14,21-23H,4H2,(H,16,17)(H2,15,18,19);1,3,5,8,10-11,14,21-23H,2,4H2,(H2,15,16,17);1-3,5,7,9-10,14,20-22H,4H2,(H2,15,17,18)/t14-,16?,19-,20-;2*10-,12?,15-,16-;9-,12?,15-,16-;9-,11?,12+,15-;7-,9?,10+,14-;8-,10?,11+,14-;7-,9?,10+,14-/m11111111/s1.
What are the key properties of (2R,3R,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-imidazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
(2R,3R,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-imidazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol has a molecular weight of 2812.91 g/mol, XLogP of 0.83, 24 rotatable bonds, 33 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-2-[4-amino-5-(1-benzofuran-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1H-imidazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(3H-pyrrol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3S,5R)-2-[4-amino-5-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol;(2R,3R,5R)-2-(4-amino-5-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is sourced from PubChem (CID 159297141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).