[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(3,3-dimethylbut-1-ynyl)phenyl]nonylsulfanyl]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-heptadec-16-ynoxyethoxy)phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(16-trimethylsilylhexadec-15-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadec-14-ynoxy)ethoxy]phosphinic acid

C148H258N25O24P5SSi3 — CID 167549547

About [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(3,3-dimethylbut-1-ynyl)phenyl]nonylsulfanyl]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-heptadec-16-ynoxyethoxy)phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(16-trimethylsilylhexadec-15-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadec-14-ynoxy)ethoxy]phosphinic acid

[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(3,3-dimethylbut-1-ynyl)phenyl]nonylsulfanyl]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-heptadec-16-ynoxyethoxy)phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(16-trimethylsilylhexadec-15-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadec-14-ynoxy)ethoxy]phosphinic acid (PubChem CID 167549547) has the molecular formula C148H258N25O24P5SSi3 and a molecular weight of 3043.04 g/mol. Its IUPAC name is [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(3,3-dimethylbut-1-ynyl)phenyl]nonylsulfanyl]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-heptadec-16-ynoxyethoxy)phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(16-trimethylsilylhexadec-15-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadec-14-ynoxy)ethoxy]phosphinic acid.

Molecular Properties

• Compound Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(3,3-dimethylbut-1-ynyl)phenyl]nonylsulfanyl]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-heptadec-16-ynoxyethoxy)phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(16-trimethylsilylhexadec-15-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadec-14-ynoxy)ethoxy]phosphinic acid
• PubChem CID: 167549547
• Molecular Formula: C148H258N25O24P5SSi3
• Molecular Weight: 3043.04 g/mol
• Exact Mass: 3040.75
• IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(3,3-dimethylbut-1-ynyl)phenyl]nonylsulfanyl]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-heptadec-16-ynoxyethoxy)phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(16-trimethylsilylhexadec-15-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadec-14-ynoxy)ethoxy]phosphinic acid
• SMILES: C#CCCCCCCCCCCCCCCCOCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21.C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCOCCCCCCCCCCCCCC#C[Si](C)(C)C.C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCOCCCCCCCCCCCCCCC#C[Si](C)(C)C.C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCOCCCCCCCCCCCCCCC[Si](C)(C)C.C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCSCCCCCCCCCc1ccc(C#CC(C)(C)C)cc1
• InChI: InChI=1S/C32H48N5O4PS.C30H54N5O5PSi.C29H56N5O5PSi.C29H52N5O5PSi.C28H48N5O5P/c1-26(22-37-24-36-29-30(33)34-23-35-31(29)37)40-25-42(38,39)41-19-21-43-20-11-9-7-5-6-8-10-12-27-13-15-28(16-14-27)17-18-32(2,3)4;1-27(23-35-25-34-28-29(31)32-24-33-30(28)35)39-26-41(36,37)40-21-20-38-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-22-42(2,3)4;2*1-26(22-34-24-33-27-28(30)31-23-32-29(27)34)38-25-40(35,36)39-20-19-37-18-16-14-12-10-8-6-5-7-9-11-13-15-17-21-41(2,3)4;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36-19-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h13-16,23-24,26H,5-12,19-22,25H2,1-4H3,(H,38,39)(H2,33,34,35);24-25,27H,5-17,19-21,23,26H2,1-4H3,(H,36,37)(H2,31,32,33);23-24,26H,5-22,25H2,1-4H3,(H,35,36)(H2,30,31,32);23-24,26H,5-16,18-20,22,25H2,1-4H3,(H,35,36)(H2,30,31,32);1,22-23,25H,4-21,24H2,2H3,(H,34,35)(H2,29,30,31)/t26-;27-;2*26-;25-/m11111/s1
• InChIKey: CFQBTIVDJLWMED-QKQFOABTSA-N
• XLogP: 34.05
• TPSA: 663.82 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 45
• Rotatable Bonds: 113
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3043.04
LogP ≤ 5	34.05
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(3,3-dimethylbut-1-ynyl)phenyl]nonylsulfanyl]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-heptadec-16-ynoxyethoxy)phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(16-trimethylsilylhexadec-15-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadec-14-ynoxy)ethoxy]phosphinic acid?

The IUPAC name of [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(3,3-dimethylbut-1-ynyl)phenyl]nonylsulfanyl]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-heptadec-16-ynoxyethoxy)phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(16-trimethylsilylhexadec-15-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadec-14-ynoxy)ethoxy]phosphinic acid (CID 167549547) is [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(3,3-dimethylbut-1-ynyl)phenyl]nonylsulfanyl]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-heptadec-16-ynoxyethoxy)phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(16-trimethylsilylhexadec-15-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadec-14-ynoxy)ethoxy]phosphinic acid.

What is the SMILES notation for [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(3,3-dimethylbut-1-ynyl)phenyl]nonylsulfanyl]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-heptadec-16-ynoxyethoxy)phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(16-trimethylsilylhexadec-15-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadec-14-ynoxy)ethoxy]phosphinic acid?

The canonical SMILES for [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(3,3-dimethylbut-1-ynyl)phenyl]nonylsulfanyl]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-heptadec-16-ynoxyethoxy)phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(16-trimethylsilylhexadec-15-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadec-14-ynoxy)ethoxy]phosphinic acid is C#CCCCCCCCCCCCCCCCOCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21.C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCOCCCCCCCCCCCCCC#C[Si](C)(C)C.C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCOCCCCCCCCCCCCCCC#C[Si](C)(C)C.C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCOCCCCCCCCCCCCCCC[Si](C)(C)C.C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCSCCCCCCCCCc1ccc(C#CC(C)(C)C)cc1.

What is the InChIKey of [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(3,3-dimethylbut-1-ynyl)phenyl]nonylsulfanyl]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-heptadec-16-ynoxyethoxy)phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(16-trimethylsilylhexadec-15-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadec-14-ynoxy)ethoxy]phosphinic acid?

The InChIKey is CFQBTIVDJLWMED-QKQFOABTSA-N. The full InChI is InChI=1S/C32H48N5O4PS.C30H54N5O5PSi.C29H56N5O5PSi.C29H52N5O5PSi.C28H48N5O5P/c1-26(22-37-24-36-29-30(33)34-23-35-31(29)37)40-25-42(38,39)41-19-21-43-20-11-9-7-5-6-8-10-12-27-13-15-28(16-14-27)17-18-32(2,3)4;1-27(23-35-25-34-28-29(31)32-24-33-30(28)35)39-26-41(36,37)40-21-20-38-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-22-42(2,3)4;2*1-26(22-34-24-33-27-28(30)31-23-32-29(27)34)38-25-40(35,36)39-20-19-37-18-16-14-12-10-8-6-5-7-9-11-13-15-17-21-41(2,3)4;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-36-19-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h13-16,23-24,26H,5-12,19-22,25H2,1-4H3,(H,38,39)(H2,33,34,35);24-25,27H,5-17,19-21,23,26H2,1-4H3,(H,36,37)(H2,31,32,33);23-24,26H,5-22,25H2,1-4H3,(H,35,36)(H2,30,31,32);23-24,26H,5-16,18-20,22,25H2,1-4H3,(H,35,36)(H2,30,31,32);1,22-23,25H,4-21,24H2,2H3,(H,34,35)(H2,29,30,31)/t26-;27-;2*26-;25-/m11111/s1.

What are the key properties of [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(3,3-dimethylbut-1-ynyl)phenyl]nonylsulfanyl]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-heptadec-16-ynoxyethoxy)phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(16-trimethylsilylhexadec-15-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadec-14-ynoxy)ethoxy]phosphinic acid?

[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(3,3-dimethylbut-1-ynyl)phenyl]nonylsulfanyl]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-heptadec-16-ynoxyethoxy)phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(16-trimethylsilylhexadec-15-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadec-14-ynoxy)ethoxy]phosphinic acid has a molecular weight of 3043.04 g/mol, XLogP of 34.05, 113 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[9-[4-(3,3-dimethylbut-1-ynyl)phenyl]nonylsulfanyl]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(2-heptadec-16-ynoxyethoxy)phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(16-trimethylsilylhexadec-15-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(15-trimethylsilylpentadec-14-ynoxy)ethoxy]phosphinic acid is sourced from PubChem (CID 167549547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).