(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propyl-ethylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl]methanesulfonamide;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-purin-9-yloxolane-3,4-diol

C181H249N55O25S3 — CID 159466432

About (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propyl-ethylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl]methanesulfonamide;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-purin-9-yloxolane-3,4-diol

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propyl-ethylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl]methanesulfonamide;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-purin-9-yloxolane-3,4-diol (PubChem CID 159466432) has the molecular formula C181H249N55O25S3 and a molecular weight of 3691.54 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propyl-ethylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl]methanesulfonamide;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-purin-9-yloxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propyl-ethylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl]methanesulfonamide;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-purin-9-yloxolane-3,4-diol
• PubChem CID: 159466432
• Molecular Formula: C181H249N55O25S3
• Molecular Weight: 3691.54 g/mol
• Exact Mass: 3688.91
• IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propyl-ethylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl]methanesulfonamide;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-purin-9-yloxolane-3,4-diol
• SMILES: CC(C)(C)c1ccc2nc(CCCCN(C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)S(C)(=O)=O)[nH]c2c1.CC(C)(C)c1ccc2nc(CCCCS(=O)C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[nH]c2c1.CC(C)(C)c1ccc2nc(CCCCSC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[nH]c2c1.CC(C)(C)c1ccc2nc(NCCCNC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[nH]c2c1.CC(C)N(CCCCc1nc2ccc(C(C)(C)C)cc2[nH]1)C[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O.CC(C)Oc1ccc2nc(CCCCN(C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)C(C)C)[nH]c2c1.CCN(CCCNc1nc2ccc(C(C)(C)C)cc2[nH]1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C28H39N7O3.C27H38N8O4.C26H37N9O3.C26H36N8O5S.C25H33N7O4S.C25H33N7O3S.C24H33N9O3/c1-17(2)34(11-7-6-8-23-32-19-10-9-18(28(3,4)5)12-20(19)33-23)14-22-24(36)25(37)27(38-22)35-16-31-21-13-29-15-30-26(21)35;1-15(2)34(10-6-5-7-21-32-18-9-8-17(38-16(3)4)11-19(18)33-21)12-20-23(36)24(37)27(39-20)35-14-31-22-25(28)29-13-30-26(22)35;1-5-34(10-6-9-28-25-32-16-8-7-15(26(2,3)4)11-17(16)33-25)12-18-20(36)21(37)24(38-18)35-14-31-19-22(27)29-13-30-23(19)35;1-26(2,3)15-8-9-16-17(11-15)32-19(31-16)7-5-6-10-33(40(4,37)38)12-18-21(35)22(36)25(39-18)34-14-30-20-23(27)28-13-29-24(20)34;1-25(2,3)14-7-8-15-16(10-14)31-18(30-15)6-4-5-9-37(35)11-17-20(33)21(34)24(36-17)32-13-29-19-22(26)27-12-28-23(19)32;1-25(2,3)14-7-8-15-16(10-14)31-18(30-15)6-4-5-9-36-11-17-20(33)21(34)24(35-17)32-13-29-19-22(26)27-12-28-23(19)32;1-24(2,3)13-5-6-14-15(9-13)32-23(31-14)27-8-4-7-26-10-16-18(34)19(35)22(36-16)33-12-30-17-20(25)28-11-29-21(17)33/h9-10,12-13,15-17,22,24-25,27,36-37H,6-8,11,14H2,1-5H3,(H,32,33);8-9,11,13-16,20,23-24,27,36-37H,5-7,10,12H2,1-4H3,(H,32,33)(H2,28,29,30);7-8,11,13-14,18,20-21,24,36-37H,5-6,9-10,12H2,1-4H3,(H2,27,29,30)(H2,28,32,33);8-9,11,13-14,18,21-22,25,35-36H,5-7,10,12H2,1-4H3,(H,31,32)(H2,27,28,29);7-8,10,12-13,17,20-21,24,33-34H,4-6,9,11H2,1-3H3,(H,30,31)(H2,26,27,28);7-8,10,12-13,17,20-21,24,33-34H,4-6,9,11H2,1-3H3,(H,30,31)(H2,26,27,28);5-6,9,11-12,16,18-19,22,26,34-35H,4,7-8,10H2,1-3H3,(H2,25,28,29)(H2,27,31,32)/t22-,24-,25-,27-;20-,23-,24-,27-;18-,20-,21-,24-;18-,21-,22-,25-;17-,20-,21-,24-,37?;17-,20-,21-,24-;16-,18-,19-,22-/m1111111/s1
• InChIKey: LVFYXZJVBVVBOI-CCHHBZQMSA-N
• XLogP: 15.51
• TPSA: 1119.40 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 73
• Rotatable Bonds: 62
• Heavy Atoms: 264
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3691.54
LogP ≤ 5	15.51
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	73

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propyl-ethylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl]methanesulfonamide;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-purin-9-yloxolane-3,4-diol?

The IUPAC name of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propyl-ethylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl]methanesulfonamide;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-purin-9-yloxolane-3,4-diol (CID 159466432) is (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propyl-ethylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl]methanesulfonamide;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-purin-9-yloxolane-3,4-diol.

What is the SMILES notation for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propyl-ethylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl]methanesulfonamide;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-purin-9-yloxolane-3,4-diol?

The canonical SMILES for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propyl-ethylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl]methanesulfonamide;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-purin-9-yloxolane-3,4-diol is CC(C)(C)c1ccc2nc(CCCCN(C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)S(C)(=O)=O)[nH]c2c1.CC(C)(C)c1ccc2nc(CCCCS(=O)C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[nH]c2c1.CC(C)(C)c1ccc2nc(CCCCSC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[nH]c2c1.CC(C)(C)c1ccc2nc(NCCCNC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[nH]c2c1.CC(C)N(CCCCc1nc2ccc(C(C)(C)C)cc2[nH]1)C[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O.CC(C)Oc1ccc2nc(CCCCN(C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)C(C)C)[nH]c2c1.CCN(CCCNc1nc2ccc(C(C)(C)C)cc2[nH]1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propyl-ethylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl]methanesulfonamide;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-purin-9-yloxolane-3,4-diol?

The InChIKey is LVFYXZJVBVVBOI-CCHHBZQMSA-N. The full InChI is InChI=1S/C28H39N7O3.C27H38N8O4.C26H37N9O3.C26H36N8O5S.C25H33N7O4S.C25H33N7O3S.C24H33N9O3/c1-17(2)34(11-7-6-8-23-32-19-10-9-18(28(3,4)5)12-20(19)33-23)14-22-24(36)25(37)27(38-22)35-16-31-21-13-29-15-30-26(21)35;1-15(2)34(10-6-5-7-21-32-18-9-8-17(38-16(3)4)11-19(18)33-21)12-20-23(36)24(37)27(39-20)35-14-31-22-25(28)29-13-30-26(22)35;1-5-34(10-6-9-28-25-32-16-8-7-15(26(2,3)4)11-17(16)33-25)12-18-20(36)21(37)24(38-18)35-14-31-19-22(27)29-13-30-23(19)35;1-26(2,3)15-8-9-16-17(11-15)32-19(31-16)7-5-6-10-33(40(4,37)38)12-18-21(35)22(36)25(39-18)34-14-30-20-23(27)28-13-29-24(20)34;1-25(2,3)14-7-8-15-16(10-14)31-18(30-15)6-4-5-9-37(35)11-17-20(33)21(34)24(36-17)32-13-29-19-22(26)27-12-28-23(19)32;1-25(2,3)14-7-8-15-16(10-14)31-18(30-15)6-4-5-9-36-11-17-20(33)21(34)24(35-17)32-13-29-19-22(26)27-12-28-23(19)32;1-24(2,3)13-5-6-14-15(9-13)32-23(31-14)27-8-4-7-26-10-16-18(34)19(35)22(36-16)33-12-30-17-20(25)28-11-29-21(17)33/h9-10,12-13,15-17,22,24-25,27,36-37H,6-8,11,14H2,1-5H3,(H,32,33);8-9,11,13-16,20,23-24,27,36-37H,5-7,10,12H2,1-4H3,(H,32,33)(H2,28,29,30);7-8,11,13-14,18,20-21,24,36-37H,5-6,9-10,12H2,1-4H3,(H2,27,29,30)(H2,28,32,33);8-9,11,13-14,18,21-22,25,35-36H,5-7,10,12H2,1-4H3,(H,31,32)(H2,27,28,29);7-8,10,12-13,17,20-21,24,33-34H,4-6,9,11H2,1-3H3,(H,30,31)(H2,26,27,28);7-8,10,12-13,17,20-21,24,33-34H,4-6,9,11H2,1-3H3,(H,30,31)(H2,26,27,28);5-6,9,11-12,16,18-19,22,26,34-35H,4,7-8,10H2,1-3H3,(H2,25,28,29)(H2,27,31,32)/t22-,24-,25-,27-;20-,23-,24-,27-;18-,20-,21-,24-;18-,21-,22-,25-;17-,20-,21-,24-,37?;17-,20-,21-,24-;16-,18-,19-,22-/m1111111/s1.

What are the key properties of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propyl-ethylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl]methanesulfonamide;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-purin-9-yloxolane-3,4-diol?

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propyl-ethylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl]methanesulfonamide;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-purin-9-yloxolane-3,4-diol has a molecular weight of 3691.54 g/mol, XLogP of 15.51, 62 rotatable bonds, 30 hydrogen bond donors, and 73 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-[(6-tert-butyl-1H-benzimidazol-2-yl)amino]propyl-ethylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfanylmethyl]oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol;N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-N-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl]methanesulfonamide;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[4-(6-propan-2-yloxy-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3S,4R,5R)-2-[[4-(6-tert-butyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]-5-purin-9-yloxolane-3,4-diol is sourced from PubChem (CID 159466432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).