1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;3-[(4-tert-butylphenyl)carbamoylamino]-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-N-methylpropanamide;1-(4-tert-butylphenyl)-6-[cyclobutyl-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]amino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one

C170H229N37O26S — CID 158425344

About 1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;3-[(4-tert-butylphenyl)carbamoylamino]-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-N-methylpropanamide;1-(4-tert-butylphenyl)-6-[cyclobutyl-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]amino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one

1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;3-[(4-tert-butylphenyl)carbamoylamino]-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-N-methylpropanamide;1-(4-tert-butylphenyl)-6-[cyclobutyl-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]amino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one (PubChem CID 158425344) has the molecular formula C170H229N37O26S and a molecular weight of 3239.00 g/mol. Its IUPAC name is 1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;3-[(4-tert-butylphenyl)carbamoylamino]-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-N-methylpropanamide;1-(4-tert-butylphenyl)-6-[cyclobutyl-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]amino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one.

Molecular Properties

• Compound Name: 1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;3-[(4-tert-butylphenyl)carbamoylamino]-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-N-methylpropanamide;1-(4-tert-butylphenyl)-6-[cyclobutyl-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]amino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one
• PubChem CID: 158425344
• Molecular Formula: C170H229N37O26S
• Molecular Weight: 3239.00 g/mol
• Exact Mass: 3236.75
• IUPAC Name: 1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;3-[(4-tert-butylphenyl)carbamoylamino]-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-N-methylpropanamide;1-(4-tert-butylphenyl)-6-[cyclobutyl-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]amino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one
• SMILES: CC(C)(C)c1ccc(NC(=O)NCCCN(Cc2ccccc2)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C(O)[C@@H]2O)cc1.CC(C)N(CCCCC(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N(C)C)ncnc32)[C@H](O)[C@@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C)C(=O)CCNC(=O)Nc2ccc(C(C)(C)C)cc2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C)CCCCC(=O)CCCc2cccs2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C)CCCCC(=O)Cc2cccc(-c3cnco3)c2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCCC(=O)Cc2ccc(C(C)(C)C)cc2)C2CCC2)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C31H40N8O4.C31H46N6O4.C31H43N5O4.C27H32N6O5.C26H35N7O5.C24H33N5O4S/c1-31(2,3)21-10-12-22(13-11-21)37-30(42)33-14-7-15-38(16-20-8-5-4-6-9-20)17-23-25(40)26(41)29(43-23)39-19-36-24-27(32)34-18-35-28(24)39;1-20(2)36(15-9-8-10-23(38)16-21-11-13-22(14-12-21)31(3,4)5)17-24-26(39)27(40)30(41-24)37-19-34-25-28(35(6)7)32-18-33-29(25)37;1-20-26-29(33-18-32-20)36(19-34-26)30-28(39)27(38)25(40-30)17-35(23-8-7-9-23)15-6-5-10-24(37)16-21-11-13-22(14-12-21)31(2,3)4;1-17-23-26(30-14-29-17)33(15-31-23)27-25(36)24(35)22(38-27)13-32(2)9-4-3-8-20(34)11-18-6-5-7-19(10-18)21-12-28-16-37-21;1-15-20-23(29-13-28-15)33(14-30-20)24-22(36)21(35)18(38-24)12-32(5)19(34)10-11-27-25(37)31-17-8-6-16(7-9-17)26(2,3)4;1-16-20-23(26-14-25-16)29(15-27-20)24-22(32)21(31)19(33-24)13-28(2)11-4-3-7-17(30)8-5-9-18-10-6-12-34-18/h4-6,8-13,18-19,23,25-26,29,40-41H,7,14-17H2,1-3H3,(H2,32,34,35)(H2,33,37,42);11-14,18-20,24,26-27,30,39-40H,8-10,15-17H2,1-7H3;11-14,18-19,23,25,27-28,30,38-39H,5-10,15-17H2,1-4H3;5-7,10,12,14-16,22,24-25,27,35-36H,3-4,8-9,11,13H2,1-2H3;6-9,13-14,18,21-22,24,35-36H,10-12H2,1-5H3,(H2,27,31,37);6,10,12,14-15,19,21-22,24,31-32H,3-5,7-9,11,13H2,1-2H3/t23-,25-,26?,29-;24-,26-,27-,30-;25-,27-,28-,30-;22-,24-,25-,27-;18-,21-,22-,24-;19-,21-,22-,24-/m111111/s1
• InChIKey: HAZDYLQGSGLCBH-NMUFGWDKSA-N
• XLogP: 16.98
• TPSA: 802.08 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 59
• Rotatable Bonds: 63
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3239.00
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;3-[(4-tert-butylphenyl)carbamoylamino]-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-N-methylpropanamide;1-(4-tert-butylphenyl)-6-[cyclobutyl-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]amino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one?

The IUPAC name of 1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;3-[(4-tert-butylphenyl)carbamoylamino]-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-N-methylpropanamide;1-(4-tert-butylphenyl)-6-[cyclobutyl-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]amino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one (CID 158425344) is 1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;3-[(4-tert-butylphenyl)carbamoylamino]-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-N-methylpropanamide;1-(4-tert-butylphenyl)-6-[cyclobutyl-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]amino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one.

What is the SMILES notation for 1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;3-[(4-tert-butylphenyl)carbamoylamino]-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-N-methylpropanamide;1-(4-tert-butylphenyl)-6-[cyclobutyl-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]amino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one?

The canonical SMILES for 1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;3-[(4-tert-butylphenyl)carbamoylamino]-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-N-methylpropanamide;1-(4-tert-butylphenyl)-6-[cyclobutyl-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]amino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one is CC(C)(C)c1ccc(NC(=O)NCCCN(Cc2ccccc2)C[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C(O)[C@@H]2O)cc1.CC(C)N(CCCCC(=O)Cc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2cnc3c(N(C)C)ncnc32)[C@H](O)[C@@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C)C(=O)CCNC(=O)Nc2ccc(C(C)(C)C)cc2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C)CCCCC(=O)CCCc2cccs2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C)CCCCC(=O)Cc2cccc(-c3cnco3)c2)[C@@H](O)[C@H]1O.Cc1ncnc2c1ncn2[C@@H]1O[C@H](CN(CCCCC(=O)Cc2ccc(C(C)(C)C)cc2)C2CCC2)[C@@H](O)[C@H]1O.

What is the InChIKey of 1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;3-[(4-tert-butylphenyl)carbamoylamino]-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-N-methylpropanamide;1-(4-tert-butylphenyl)-6-[cyclobutyl-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]amino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one?

The InChIKey is HAZDYLQGSGLCBH-NMUFGWDKSA-N. The full InChI is InChI=1S/C31H40N8O4.C31H46N6O4.C31H43N5O4.C27H32N6O5.C26H35N7O5.C24H33N5O4S/c1-31(2,3)21-10-12-22(13-11-21)37-30(42)33-14-7-15-38(16-20-8-5-4-6-9-20)17-23-25(40)26(41)29(43-23)39-19-36-24-27(32)34-18-35-28(24)39;1-20(2)36(15-9-8-10-23(38)16-21-11-13-22(14-12-21)31(3,4)5)17-24-26(39)27(40)30(41-24)37-19-34-25-28(35(6)7)32-18-33-29(25)37;1-20-26-29(33-18-32-20)36(19-34-26)30-28(39)27(38)25(40-30)17-35(23-8-7-9-23)15-6-5-10-24(37)16-21-11-13-22(14-12-21)31(2,3)4;1-17-23-26(30-14-29-17)33(15-31-23)27-25(36)24(35)22(38-27)13-32(2)9-4-3-8-20(34)11-18-6-5-7-19(10-18)21-12-28-16-37-21;1-15-20-23(29-13-28-15)33(14-30-20)24-22(36)21(35)18(38-24)12-32(5)19(34)10-11-27-25(37)31-17-8-6-16(7-9-17)26(2,3)4;1-16-20-23(26-14-25-16)29(15-27-20)24-22(32)21(31)19(33-24)13-28(2)11-4-3-7-17(30)8-5-9-18-10-6-12-34-18/h4-6,8-13,18-19,23,25-26,29,40-41H,7,14-17H2,1-3H3,(H2,32,34,35)(H2,33,37,42);11-14,18-20,24,26-27,30,39-40H,8-10,15-17H2,1-7H3;11-14,18-19,23,25,27-28,30,38-39H,5-10,15-17H2,1-4H3;5-7,10,12,14-16,22,24-25,27,35-36H,3-4,8-9,11,13H2,1-2H3;6-9,13-14,18,21-22,24,35-36H,10-12H2,1-5H3,(H2,27,31,37);6,10,12,14-15,19,21-22,24,31-32H,3-5,7-9,11,13H2,1-2H3/t23-,25-,26?,29-;24-,26-,27-,30-;25-,27-,28-,30-;22-,24-,25-,27-;18-,21-,22-,24-;19-,21-,22-,24-/m111111/s1.

What are the key properties of 1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;3-[(4-tert-butylphenyl)carbamoylamino]-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-N-methylpropanamide;1-(4-tert-butylphenyl)-6-[cyclobutyl-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]amino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one?

1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;3-[(4-tert-butylphenyl)carbamoylamino]-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-N-methylpropanamide;1-(4-tert-butylphenyl)-6-[cyclobutyl-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]amino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one has a molecular weight of 3239.00 g/mol, XLogP of 16.98, 63 rotatable bonds, 17 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;3-[(4-tert-butylphenyl)carbamoylamino]-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]-N-methylpropanamide;1-(4-tert-butylphenyl)-6-[cyclobutyl-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl]amino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]hexan-2-one;6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-[3-(1,3-oxazol-5-yl)phenyl]hexan-2-one;8-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]-1-thiophen-2-yloctan-4-one is sourced from PubChem (CID 158425344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).