(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;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;5-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)pentan-2-one;(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

C164H222N34O24S4 — CID 162072579

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;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;5-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)pentan-2-one;(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

(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;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;5-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)pentan-2-one;(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 (PubChem CID 162072579) has the molecular formula C164H222N34O24S4 and a molecular weight of 3182.06 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;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;5-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)pentan-2-one;(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.

Molecular Properties

• Compound Name: (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;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;5-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)pentan-2-one;(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
• PubChem CID: 162072579
• Molecular Formula: C164H222N34O24S4
• Molecular Weight: 3182.06 g/mol
• Exact Mass: 3179.61
• IUPAC Name: (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;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;5-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)pentan-2-one;(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
• SMILES: CC(C)(C)c1ccc(CC(=O)CCCCCSC[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(CC(=O)CCCS(=O)C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.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)Oc1ccc2nc(CCCCN(C[C@H]3O[C@@H](n4cnc5c(N)ccnc54)[C@H](O)[C@@H]3O)C(C)C)[nH]c2c1
• InChI: InChI=1S/C30H43N7O3.C28H39N7O4.C28H38N4O4S.C26H34N6O5S.C26H34N6O3S.C26H34N4O5S/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;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;1-28(2,3)19-10-8-18(9-11-19)15-20(33)7-5-4-6-14-37-16-22-24(34)25(35)27(36-22)32-17-31-23-21(29)12-13-30-26(23)32;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;1-26(2,3)17-8-6-16(7-9-17)13-18(31)5-4-12-36(34)14-20-22(32)23(33)25(35-20)30-15-29-21-19(27)10-11-28-24(21)30/h10-13,15,17-18,23,26-27,29,38-39H,6-9,14,16H2,1-5H3,(H2,31,32)(H,34,35);8-11,13,15-17,22,25-26,28,36-37H,5-7,12,14H2,1-4H3,(H2,29,30)(H,32,33);8-13,17,22,24-25,27,34-35H,4-7,14-16H2,1-3H3,(H2,29,30);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);6-11,15,20,22-23,25,32-33H,4-5,12-14H2,1-3H3,(H2,27,28)/t23-,26-,27-,29-;22-,25-,26-,28-;22-,24-,25-,27-;2*19-,22-,23-,25-;20-,22-,23-,25-,36?/m111111/s1
• InChIKey: ZBHCDJCZYLYWLQ-JHFQFORUSA-N
• XLogP: 19.07
• TPSA: 854.30 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 56
• Rotatable Bonds: 57
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3182.06
LogP ≤ 5	19.07
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;5-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)pentan-2-one;(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?

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;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;5-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)pentan-2-one;(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 (CID 162072579) 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;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;5-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)pentan-2-one;(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.

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;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;5-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)pentan-2-one;(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?

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;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;5-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)pentan-2-one;(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 is CC(C)(C)c1ccc(CC(=O)CCCCCSC[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.CC(C)(C)c1ccc(CC(=O)CCCS(=O)C[C@H]2O[C@@H](n3cnc4c(N)ccnc43)[C@H](O)[C@@H]2O)cc1.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)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;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;5-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)pentan-2-one;(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?

The InChIKey is ZBHCDJCZYLYWLQ-JHFQFORUSA-N. The full InChI is InChI=1S/C30H43N7O3.C28H39N7O4.C28H38N4O4S.C26H34N6O5S.C26H34N6O3S.C26H34N4O5S/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;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;1-28(2,3)19-10-8-18(9-11-19)15-20(33)7-5-4-6-14-37-16-22-24(34)25(35)27(36-22)32-17-31-23-21(29)12-13-30-26(23)32;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;1-26(2,3)17-8-6-16(7-9-17)13-18(31)5-4-12-36(34)14-20-22(32)23(33)25(35-20)30-15-29-21-19(27)10-11-28-24(21)30/h10-13,15,17-18,23,26-27,29,38-39H,6-9,14,16H2,1-5H3,(H2,31,32)(H,34,35);8-11,13,15-17,22,25-26,28,36-37H,5-7,12,14H2,1-4H3,(H2,29,30)(H,32,33);8-13,17,22,24-25,27,34-35H,4-7,14-16H2,1-3H3,(H2,29,30);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);6-11,15,20,22-23,25,32-33H,4-5,12-14H2,1-3H3,(H2,27,28)/t23-,26-,27-,29-;22-,25-,26-,28-;22-,24-,25-,27-;2*19-,22-,23-,25-;20-,22-,23-,25-,36?/m111111/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;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;5-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)pentan-2-one;(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?

(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;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;5-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)pentan-2-one;(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 has a molecular weight of 3182.06 g/mol, XLogP of 19.07, 57 rotatable bonds, 22 hydrogen bond donors, and 56 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;7-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-1-(4-tert-butylphenyl)heptan-2-one;5-[[(2S,3S,4R,5R)-5-(7-aminoimidazo[4,5-b]pyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]-1-(4-tert-butylphenyl)pentan-2-one;(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 is sourced from PubChem (CID 162072579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).