1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-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

C167H225N37O27S — CID 158834085

About 1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-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;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-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 158834085) has the molecular formula C167H225N37O27S and a molecular weight of 3214.94 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;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-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;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-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: 158834085
• Molecular Formula: C167H225N37O27S
• Molecular Weight: 3214.94 g/mol
• Exact Mass: 3212.71
• 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;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-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)ccnc32)[C@H](O)[C@@H]1O.CC(C)[C@@H](CCN(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)NC(=O)Nc1ccc(C(C)(C)C)cc1.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)Cc2ccc3c(c2)OCO3)[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
• InChI: InChI=1S/C32H47N5O4.C31H40N8O4.C28H42N8O4.C27H32N6O5.C25H31N5O6.C24H33N5O4S/c1-21(2)36(17-9-8-10-24(38)18-22-11-13-23(14-12-22)32(3,4)5)19-26-28(39)29(40)31(41-26)37-20-34-27-25(35(6)7)15-16-33-30(27)37;1-31(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;1-16(2)19(34-27(39)33-18-9-7-17(8-10-18)28(3,4)5)11-12-35(6)13-20-22(37)23(38)26(40-20)36-15-32-21-24(29)30-14-31-25(21)36;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;1-15-21-24(27-12-26-15)30(13-28-21)25-23(33)22(32)20(36-25)11-29(2)8-4-3-5-17(31)9-16-6-7-18-19(10-16)35-14-34-18;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/h11-16,20-21,26,28-29,31,39-40H,8-10,17-19H2,1-7H3;4-6,8-13,18-19,23,25-26,29,40-41H,7,14-17H2,1-3H3,(H2,32,34,35)(H2,33,37,42);7-10,14-16,19-20,22-23,26,37-38H,11-13H2,1-6H3,(H2,29,30,31)(H2,33,34,39);5-7,10,12,14-16,22,24-25,27,35-36H,3-4,8-9,11,13H2,1-2H3;6-7,10,12-13,20,22-23,25,32-33H,3-5,8-9,11,14H2,1-2H3;6,10,12,14-15,19,21-22,24,31-32H,3-5,7-9,11,13H2,1-2H3/t26-,28-,29-,31-;23-,25-,26?,29-;19-,20-,22-,23-,26-;22-,24-,25-,27-;20-,22-,23-,25-;19-,21-,22-,24-/m111111/s1
• InChIKey: IXKIQKWCZZHHQU-NPPVDZITSA-N
• XLogP: 15.87
• TPSA: 816.60 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 61
• Rotatable Bonds: 64
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3214.94
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	61

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;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-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;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-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 158834085) is 1-[3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-benzylamino]propyl]-3-(4-tert-butylphenyl)urea;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-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;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-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;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-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)ccnc32)[C@H](O)[C@@H]1O.CC(C)[C@@H](CCN(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)NC(=O)Nc1ccc(C(C)(C)C)cc1.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)Cc2ccc3c(c2)OCO3)[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.

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;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-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 IXKIQKWCZZHHQU-NPPVDZITSA-N. The full InChI is InChI=1S/C32H47N5O4.C31H40N8O4.C28H42N8O4.C27H32N6O5.C25H31N5O6.C24H33N5O4S/c1-21(2)36(17-9-8-10-24(38)18-22-11-13-23(14-12-22)32(3,4)5)19-26-28(39)29(40)31(41-26)37-20-34-27-25(35(6)7)15-16-33-30(27)37;1-31(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;1-16(2)19(34-27(39)33-18-9-7-17(8-10-18)28(3,4)5)11-12-35(6)13-20-22(37)23(38)26(40-20)36-15-32-21-24(29)30-14-31-25(21)36;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;1-15-21-24(27-12-26-15)30(13-28-21)25-23(33)22(32)20(36-25)11-29(2)8-4-3-5-17(31)9-16-6-7-18-19(10-16)35-14-34-18;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/h11-16,20-21,26,28-29,31,39-40H,8-10,17-19H2,1-7H3;4-6,8-13,18-19,23,25-26,29,40-41H,7,14-17H2,1-3H3,(H2,32,34,35)(H2,33,37,42);7-10,14-16,19-20,22-23,26,37-38H,11-13H2,1-6H3,(H2,29,30,31)(H2,33,34,39);5-7,10,12,14-16,22,24-25,27,35-36H,3-4,8-9,11,13H2,1-2H3;6-7,10,12-13,20,22-23,25,32-33H,3-5,8-9,11,14H2,1-2H3;6,10,12,14-15,19,21-22,24,31-32H,3-5,7-9,11,13H2,1-2H3/t26-,28-,29-,31-;23-,25-,26?,29-;19-,20-,22-,23-,26-;22-,24-,25-,27-;20-,22-,23-,25-;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;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-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;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-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 3214.94 g/mol, XLogP of 15.87, 64 rotatable bonds, 18 hydrogen bond donors, and 61 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;1-[(3R)-1-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]-4-methylpentan-3-yl]-3-(4-tert-butylphenyl)urea;1-(1,3-benzodioxol-5-yl)-6-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylpurin-9-yl)oxolan-2-yl]methyl-methylamino]hexan-2-one;1-(4-tert-butylphenyl)-6-[[(2R,3S,4R,5R)-5-[7-(dimethylamino)imidazo[4,5-b]pyridin-3-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 158834085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).