bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclobutyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclopropyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;1-[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]methyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(2,2,2-trifluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol

C174H233F3N48O20 — CID 162281559

About bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclobutyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclopropyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;1-[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]methyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(2,2,2-trifluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol

bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclobutyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclopropyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;1-[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]methyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(2,2,2-trifluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol (PubChem CID 162281559) has the molecular formula C174H233F3N48O20 and a molecular weight of 3374.09 g/mol. Its IUPAC name is bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclobutyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclopropyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;1-[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]methyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(2,2,2-trifluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol.

Molecular Properties

• Compound Name: bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclobutyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclopropyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;1-[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]methyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(2,2,2-trifluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol
• PubChem CID: 162281559
• Molecular Formula: C174H233F3N48O20
• Molecular Weight: 3374.09 g/mol
• Exact Mass: 3371.86
• IUPAC Name: bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclobutyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclopropyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;1-[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]methyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(2,2,2-trifluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol
• SMILES: CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C(C)(C)CO)cc3[nH]2)C1.CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C4CC4)cc3[nH]2)C1.CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C4CCC4)cc3[nH]2)C1.CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C4CCC4)cc3[nH]2)C1.CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(CC(F)(F)F)cc3[nH]2)C1.CN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CNC(=O)Nc2ccc(C(C)(C)C)cc2)C1
• InChI: InChI=1S/C30H42N8O4.2C30H40N8O3.C29H38N8O3.C28H35F3N8O3.C27H38N8O4/c1-16(2)37(12-22-25(40)26(41)29(42-22)38-15-34-24-27(31)32-14-33-28(24)38)19-9-17(10-19)5-8-23-35-20-7-6-18(11-21(20)36-23)30(3,4)13-39;2*1-16(2)37(13-23-26(39)27(40)30(41-23)38-15-34-25-28(31)32-14-33-29(25)38)20-10-17(11-20)6-9-24-35-21-8-7-19(12-22(21)36-24)18-4-3-5-18;1-15(2)36(12-22-25(38)26(39)29(40-22)37-14-33-24-27(30)31-13-32-28(24)37)19-9-16(10-19)3-8-23-34-20-7-6-18(17-4-5-17)11-21(20)35-23;1-14(2)38(11-20-23(40)24(41)27(42-20)39-13-35-22-25(32)33-12-34-26(22)39)17-7-15(8-17)4-6-21-36-18-5-3-16(9-19(18)37-21)10-28(29,30)31;1-27(2,3)16-5-7-17(8-6-16)33-26(38)29-11-15-9-18(10-15)34(4)12-19-21(36)22(37)25(39-19)35-14-32-20-23(28)30-13-31-24(20)35/h6-7,11,14-17,19,22,25-26,29,39-41H,5,8-10,12-13H2,1-4H3,(H,35,36)(H2,31,32,33);2*7-8,12,14-18,20,23,26-27,30,39-40H,3-6,9-11,13H2,1-2H3,(H,35,36)(H2,31,32,33);6-7,11,13-17,19,22,25-26,29,38-39H,3-5,8-10,12H2,1-2H3,(H,34,35)(H2,30,31,32);3,5,9,12-15,17,20,23-24,27,40-41H,4,6-8,10-11H2,1-2H3,(H,36,37)(H2,32,33,34);5-8,13-15,18-19,21-22,25,36-37H,9-12H2,1-4H3,(H2,28,30,31)(H2,29,33,38)/t17?,19?,22-,25-,26-,29-;2*17?,20?,23-,26-,27-,30-;16?,19?,22-,25-,26-,29-;15?,17?,20-,23-,24-,27-;15?,18?,19-,21-,22-,25-/m111111/s1
• InChIKey: JZSIQZNFDIINHH-DVOJRECBSA-N
• XLogP: 16.77
• TPSA: 940.06 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 61
• Rotatable Bonds: 53
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3374.09
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	61

Frequently Asked Questions

What is the IUPAC name of bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclobutyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclopropyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;1-[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]methyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(2,2,2-trifluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol?

The IUPAC name of bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclobutyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclopropyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;1-[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]methyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(2,2,2-trifluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol (CID 162281559) is bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclobutyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclopropyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;1-[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]methyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(2,2,2-trifluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol.

What is the SMILES notation for bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclobutyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclopropyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;1-[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]methyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(2,2,2-trifluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol?

The canonical SMILES for bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclobutyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclopropyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;1-[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]methyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(2,2,2-trifluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol is CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C(C)(C)CO)cc3[nH]2)C1.CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C4CC4)cc3[nH]2)C1.CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C4CCC4)cc3[nH]2)C1.CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(C4CCC4)cc3[nH]2)C1.CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3ccc(CC(F)(F)F)cc3[nH]2)C1.CN(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CNC(=O)Nc2ccc(C(C)(C)C)cc2)C1.

What is the InChIKey of bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclobutyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclopropyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;1-[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]methyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(2,2,2-trifluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol?

The InChIKey is JZSIQZNFDIINHH-DVOJRECBSA-N. The full InChI is InChI=1S/C30H42N8O4.2C30H40N8O3.C29H38N8O3.C28H35F3N8O3.C27H38N8O4/c1-16(2)37(12-22-25(40)26(41)29(42-22)38-15-34-24-27(31)32-14-33-28(24)38)19-9-17(10-19)5-8-23-35-20-7-6-18(11-21(20)36-23)30(3,4)13-39;2*1-16(2)37(13-23-26(39)27(40)30(41-23)38-15-34-25-28(31)32-14-33-29(25)38)20-10-17(11-20)6-9-24-35-21-8-7-19(12-22(21)36-24)18-4-3-5-18;1-15(2)36(12-22-25(38)26(39)29(40-22)37-14-33-24-27(30)31-13-32-28(24)37)19-9-16(10-19)3-8-23-34-20-7-6-18(17-4-5-17)11-21(20)35-23;1-14(2)38(11-20-23(40)24(41)27(42-20)39-13-35-22-25(32)33-12-34-26(22)39)17-7-15(8-17)4-6-21-36-18-5-3-16(9-19(18)37-21)10-28(29,30)31;1-27(2,3)16-5-7-17(8-6-16)33-26(38)29-11-15-9-18(10-15)34(4)12-19-21(36)22(37)25(39-19)35-14-32-20-23(28)30-13-31-24(20)35/h6-7,11,14-17,19,22,25-26,29,39-41H,5,8-10,12-13H2,1-4H3,(H,35,36)(H2,31,32,33);2*7-8,12,14-18,20,23,26-27,30,39-40H,3-6,9-11,13H2,1-2H3,(H,35,36)(H2,31,32,33);6-7,11,13-17,19,22,25-26,29,38-39H,3-5,8-10,12H2,1-2H3,(H,34,35)(H2,30,31,32);3,5,9,12-15,17,20,23-24,27,40-41H,4,6-8,10-11H2,1-2H3,(H,36,37)(H2,32,33,34);5-8,13-15,18-19,21-22,25,36-37H,9-12H2,1-4H3,(H2,28,30,31)(H2,29,33,38)/t17?,19?,22-,25-,26-,29-;2*17?,20?,23-,26-,27-,30-;16?,19?,22-,25-,26-,29-;15?,17?,20-,23-,24-,27-;15?,18?,19-,21-,22-,25-/m111111/s1.

What are the key properties of bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclobutyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclopropyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;1-[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]methyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(2,2,2-trifluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol?

bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclobutyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclopropyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;1-[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]methyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(2,2,2-trifluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol has a molecular weight of 3374.09 g/mol, XLogP of 16.77, 53 rotatable bonds, 26 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclobutyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-cyclopropyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;1-[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]methyl]-3-(4-tert-butylphenyl)urea;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-[6-(1-hydroxy-2-methylpropan-2-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(2,2,2-trifluoroethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol is sourced from PubChem (CID 162281559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).