About (2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfonylmethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)pentyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;tris((2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-imidazo[4,5-b]pyridin-3-yloxolane-3,4-diol)
(2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfonylmethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)pentyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;tris((2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-imidazo[4,5-b]pyridin-3-yloxolane-3,4-diol) (PubChem CID 158615625) has the molecular formula C197H270N44O24S2
and a molecular weight of 3702.74 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfonylmethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)pentyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;tris((2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-imidazo[4,5-b]pyridin-3-yloxolane-3,4-diol).
Frequently Asked Questions
What is the IUPAC name of (2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfonylmethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)pentyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;tris((2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-imidazo[4,5-b]pyridin-3-yloxolane-3,4-diol)?
The IUPAC name of (2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfonylmethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)pentyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;tris((2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-imidazo[4,5-b]pyridin-3-yloxolane-3,4-diol) (CID 158615625) is (2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfonylmethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)pentyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;tris((2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-imidazo[4,5-b]pyridin-3-yloxolane-3,4-diol).
What is the SMILES notation for (2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfonylmethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)pentyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;tris((2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-imidazo[4,5-b]pyridin-3-yloxolane-3,4-diol)?
The canonical SMILES for (2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfonylmethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)pentyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;tris((2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-imidazo[4,5-b]pyridin-3-yloxolane-3,4-diol) is CC(C)(C)c1ccc2nc(CCCCS(=O)(=O)C[C@H]3O[C@@H](n4cnc5c(N)ccnc54)[C@H](O)[C@@H]3O)[nH]c2c1.CC(C)(C)c1ccc2nc(CCCCSC[C@H]3O[C@@H](n4cnc5c(N)ccnc54)[C@H](O)[C@@H]3O)[nH]c2c1.CC(C)N(CCCCCc1nc2ccc(C(C)(C)C)cc2[nH]1)C[C@H]1O[C@@H](n2cnc3c(N)ccnc32)[C@H](O)[C@@H]1O.CC(C)N(CCCCc1nc2ccc(C(C)(C)C)cc2[nH]1)C[C@H]1O[C@@H](n2cnc3cccnc32)[C@H](O)[C@@H]1O.CC(C)N(CCCCc1nc2ccc(C(C)(C)C)cc2[nH]1)C[C@H]1O[C@@H](n2cnc3cccnc32)[C@H](O)[C@@H]1O.CC(C)N(CCCCc1nc2ccc(C(C)(C)C)cc2[nH]1)C[C@H]1O[C@@H](n2cnc3cccnc32)[C@H](O)[C@@H]1O.CC(C)Oc1ccc2nc(CCCCN(C[C@H]3O[C@@H](n4cnc5c(N)ccnc54)[C@H](O)[C@@H]3O)C(C)C)[nH]c2c1.
What is the InChIKey of (2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfonylmethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)pentyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;tris((2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-imidazo[4,5-b]pyridin-3-yloxolane-3,4-diol)?
The InChIKey is HXIUJOXTYIAYHB-UWCLBPIRSA-N. The full InChI is InChI=1S/C30H43N7O3.3C29H40N6O3.C28H39N7O4.C26H34N6O5S.C26H34N6O3S/c1-18(2)36(14-8-6-7-9-24-34-21-11-10-19(30(3,4)5)15-22(21)35-24)16-23-26(38)27(39)29(40-23)37-17-33-25-20(31)12-13-32-28(25)37;3*1-18(2)34(14-7-6-10-24-32-20-12-11-19(29(3,4)5)15-22(20)33-24)16-23-25(36)26(37)28(38-23)35-17-31-21-9-8-13-30-27(21)35;1-16(2)34(12-6-5-7-23-32-20-9-8-18(38-17(3)4)13-21(20)33-23)14-22-25(36)26(37)28(39-22)35-15-31-24-19(29)10-11-30-27(24)35;1-26(2,3)15-7-8-17-18(12-15)31-20(30-17)6-4-5-11-38(35,36)13-19-22(33)23(34)25(37-19)32-14-29-21-16(27)9-10-28-24(21)32;1-26(2,3)15-7-8-17-18(12-15)31-20(30-17)6-4-5-11-36-13-19-22(33)23(34)25(35-19)32-14-29-21-16(27)9-10-28-24(21)32/h10-13,15,17-18,23,26-27,29,38-39H,6-9,14,16H2,1-5H3,(H2,31,32)(H,34,35);3*8-9,11-13,15,17-18,23,25-26,28,36-37H,6-7,10,14,16H2,1-5H3,(H,32,33);8-11,13,15-17,22,25-26,28,36-37H,5-7,12,14H2,1-4H3,(H2,29,30)(H,32,33);7-10,12,14,19,22-23,25,33-34H,4-6,11,13H2,1-3H3,(H2,27,28)(H,30,31);7-10,12,14,19,22-23,25,33-34H,4-6,11,13H2,1-3H3,(H2,27,28)(H,30,31)/t23-,26-,27-,29-;3*23-,25-,26-,28-;22-,25-,26-,28-;2*19-,22-,23-,25-/m1111111/s1.
What are the key properties of (2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfonylmethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)pentyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;tris((2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-imidazo[4,5-b]pyridin-3-yloxolane-3,4-diol)?
(2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfonylmethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)pentyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;tris((2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-imidazo[4,5-b]pyridin-3-yloxolane-3,4-diol) has a molecular weight of 3702.74 g/mol, XLogP of 24.64, 64 rotatable bonds, 25 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfonylmethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[5-(6-tert-butyl-1H-benzimidazol-2-yl)pentyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;tris((2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-imidazo[4,5-b]pyridin-3-yloxolane-3,4-diol) is sourced from PubChem (CID 158615625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).