About (2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-aminophenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-aminophenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-hydroxyphenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-phenylethenesulfonamide;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-hydroxyphenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[(3-phenyloxetan-3-yl)sulfamoylamino]methyl]oxolane-3,4-diol
(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-aminophenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-aminophenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-hydroxyphenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-phenylethenesulfonamide;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-hydroxyphenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[(3-phenyloxetan-3-yl)sulfamoylamino]methyl]oxolane-3,4-diol (PubChem CID 161071880) has the molecular formula C117H137N35O35S6
and a molecular weight of 2785.99 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-aminophenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-aminophenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-hydroxyphenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-phenylethenesulfonamide;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-hydroxyphenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[(3-phenyloxetan-3-yl)sulfamoylamino]methyl]oxolane-3,4-diol.
Frequently Asked Questions
What is the IUPAC name of (2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-aminophenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-aminophenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-hydroxyphenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-phenylethenesulfonamide;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-hydroxyphenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[(3-phenyloxetan-3-yl)sulfamoylamino]methyl]oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-aminophenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-aminophenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-hydroxyphenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-phenylethenesulfonamide;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-hydroxyphenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[(3-phenyloxetan-3-yl)sulfamoylamino]methyl]oxolane-3,4-diol (CID 161071880) is (2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-aminophenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-aminophenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-hydroxyphenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-phenylethenesulfonamide;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-hydroxyphenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[(3-phenyloxetan-3-yl)sulfamoylamino]methyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-aminophenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-aminophenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-hydroxyphenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-phenylethenesulfonamide;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-hydroxyphenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[(3-phenyloxetan-3-yl)sulfamoylamino]methyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-aminophenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-aminophenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-hydroxyphenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-phenylethenesulfonamide;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-hydroxyphenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[(3-phenyloxetan-3-yl)sulfamoylamino]methyl]oxolane-3,4-diol is Nc1ccccc1/C=C/S(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.Nc1ccccc1C1(NS(=O)(=O)NC[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)COC1.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)/C=C/c2ccccc2)[C@@H](O)[C@H]1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)/C=C/c2ccccc2O)[C@@H](O)[C@H]1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)NC2(c3ccccc3)COC2)[C@@H](O)[C@H]1O.Nc1ccnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)NC2(c3ccccc3O)COC2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-aminophenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-aminophenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-hydroxyphenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-phenylethenesulfonamide;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-hydroxyphenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[(3-phenyloxetan-3-yl)sulfamoylamino]methyl]oxolane-3,4-diol?
The InChIKey is UETOBMXQCBKDIW-ZXBXPSPTSA-N. The full InChI is InChI=1S/C20H25N7O6S.C20H24N6O7S.C20H24N6O6S.C19H22N6O5S.C19H21N5O6S.C19H21N5O5S/c21-12-4-2-1-3-11(12)20(8-32-9-20)26-34(30,31)25-7-14-16(28)17(29)19(33-14)27-10-24-15-13(22)5-6-23-18(15)27;21-12-5-6-22-18-15(12)23-10-26(18)19-17(29)16(28)14(33-19)7-24-34(30,31)25-20(8-32-9-20)11-3-1-2-4-13(11)27;21-13-6-7-22-18-15(13)23-11-26(18)19-17(28)16(27)14(32-19)8-24-33(29,30)25-20(9-31-10-20)12-4-2-1-3-5-12;20-12-4-2-1-3-11(12)6-8-31(28,29)24-9-14-16(26)17(27)19(30-14)25-10-23-15-13(21)5-7-22-18(15)25;20-12-5-7-21-18-15(12)22-10-24(18)19-17(27)16(26)14(30-19)9-23-31(28,29)8-6-11-3-1-2-4-13(11)25;20-13-6-8-21-18-15(13)22-11-24(18)19-17(26)16(25)14(29-19)10-23-30(27,28)9-7-12-4-2-1-3-5-12/h1-6,10,14,16-17,19,25-26,28-29H,7-9,21H2,(H2,22,23);1-6,10,14,16-17,19,24-25,27-29H,7-9H2,(H2,21,22);1-7,11,14,16-17,19,24-25,27-28H,8-10H2,(H2,21,22);1-8,10,14,16-17,19,24,26-27H,9,20H2,(H2,21,22);1-8,10,14,16-17,19,23,25-27H,9H2,(H2,20,21);1-9,11,14,16-17,19,23,25-26H,10H2,(H2,20,21)/b;;;2*8-6+;9-7+/t6*14-,16-,17-,19-/m111111/s1.
What are the key properties of (2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-aminophenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-aminophenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-hydroxyphenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-phenylethenesulfonamide;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-hydroxyphenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[(3-phenyloxetan-3-yl)sulfamoylamino]methyl]oxolane-3,4-diol?
(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-aminophenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-aminophenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-hydroxyphenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-phenylethenesulfonamide;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-hydroxyphenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[(3-phenyloxetan-3-yl)sulfamoylamino]methyl]oxolane-3,4-diol has a molecular weight of 2785.99 g/mol, XLogP of -3.81, 39 rotatable bonds, 31 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-aminophenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-aminophenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-(2-hydroxyphenyl)ethenesulfonamide;(E)-N-[[(2R,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-phenylethenesulfonamide;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[[3-(2-hydroxyphenyl)oxetan-3-yl]sulfamoylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[(3-phenyloxetan-3-yl)sulfamoylamino]methyl]oxolane-3,4-diol is sourced from PubChem (CID 161071880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).