[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-[tert-butyl(dimethyl)silyl]tetradec-13-ynoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradec-13-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradecoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradec-13-ynoxy]ethoxy]phosphinic acid

C161H300N25O25P5Si5 — CID 167587619

About [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-[tert-butyl(dimethyl)silyl]tetradec-13-ynoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradec-13-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradecoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradec-13-ynoxy]ethoxy]phosphinic acid

[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-[tert-butyl(dimethyl)silyl]tetradec-13-ynoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradec-13-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradecoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradec-13-ynoxy]ethoxy]phosphinic acid (PubChem CID 167587619) has the molecular formula C161H300N25O25P5Si5 and a molecular weight of 3281.62 g/mol. Its IUPAC name is [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-[tert-butyl(dimethyl)silyl]tetradec-13-ynoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradec-13-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradecoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradec-13-ynoxy]ethoxy]phosphinic acid.

Molecular Properties

• Compound Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-[tert-butyl(dimethyl)silyl]tetradec-13-ynoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradec-13-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradecoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradec-13-ynoxy]ethoxy]phosphinic acid
• PubChem CID: 167587619
• Molecular Formula: C161H300N25O25P5Si5
• Molecular Weight: 3281.62 g/mol
• Exact Mass: 3279.05
• IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-[tert-butyl(dimethyl)silyl]tetradec-13-ynoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradec-13-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradecoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradec-13-ynoxy]ethoxy]phosphinic acid
• SMILES: CC(C)[Si](C#CCCCCCCCCCCCCOCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21)(C(C)C)C(C)C.CC(C)[Si](CCCCCCCCCCCCCCOCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21)(C(C)C)C(C)C.CC[Si](C#CCCCCCCCCCCCCOCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21)(CC)CC.CC[Si](CC)(CC)CCCCCCCCCCCCCCOCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21.C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCOCCCCCCCCCCCCC#C[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C34H66N5O5PSi.C34H62N5O5PSi.C31H56N5O5PSi.C31H60N5O5PSi.C31H56N5O5PSi/c2*1-28(2)46(29(3)4,30(5)6)23-19-17-15-13-11-9-8-10-12-14-16-18-20-42-21-22-44-45(40,41)27-43-31(7)24-39-26-38-32-33(35)36-25-37-34(32)39;1-27(23-36-25-35-28-29(32)33-24-34-30(28)36)40-26-42(37,38)41-21-20-39-19-17-15-13-11-9-7-8-10-12-14-16-18-22-43(5,6)31(2,3)4;2*1-5-43(6-2,7-3)23-19-17-15-13-11-9-8-10-12-14-16-18-20-39-21-22-41-42(37,38)27-40-28(4)24-36-26-35-29-30(32)33-25-34-31(29)36/h25-26,28-31H,8-24,27H2,1-7H3,(H,40,41)(H2,35,36,37);25-26,28-31H,8-18,20-22,24,27H2,1-7H3,(H,40,41)(H2,35,36,37);24-25,27H,7-17,19-21,23,26H2,1-6H3,(H,37,38)(H2,32,33,34);25-26,28H,5-24,27H2,1-4H3,(H,37,38)(H2,32,33,34);25-26,28H,5-18,20-22,24,27H2,1-4H3,(H,37,38)(H2,32,33,34)/t2*31-;27-;2*28-/m11111/s1
• InChIKey: HZSSOPOGHHMTQR-NQPTXGFUSA-N
• XLogP: 40.70
• TPSA: 673.05 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 45
• Rotatable Bonds: 123
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3281.62
LogP ≤ 5	40.70
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-[14-[tert-butyl(dimethyl)silyl]tetradec-13-ynoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradec-13-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradecoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradec-13-ynoxy]ethoxy]phosphinic acid?

The IUPAC name of [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-[tert-butyl(dimethyl)silyl]tetradec-13-ynoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradec-13-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradecoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradec-13-ynoxy]ethoxy]phosphinic acid (CID 167587619) is [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-[tert-butyl(dimethyl)silyl]tetradec-13-ynoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradec-13-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradecoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradec-13-ynoxy]ethoxy]phosphinic acid.

What is the SMILES notation for [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-[tert-butyl(dimethyl)silyl]tetradec-13-ynoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradec-13-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradecoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradec-13-ynoxy]ethoxy]phosphinic acid?

The canonical SMILES for [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-[tert-butyl(dimethyl)silyl]tetradec-13-ynoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradec-13-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradecoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradec-13-ynoxy]ethoxy]phosphinic acid is CC(C)[Si](C#CCCCCCCCCCCCCOCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21)(C(C)C)C(C)C.CC(C)[Si](CCCCCCCCCCCCCCOCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21)(C(C)C)C(C)C.CC[Si](C#CCCCCCCCCCCCCOCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21)(CC)CC.CC[Si](CC)(CC)CCCCCCCCCCCCCCOCCOP(=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21.C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OCCOCCCCCCCCCCCCC#C[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-[tert-butyl(dimethyl)silyl]tetradec-13-ynoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradec-13-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradecoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradec-13-ynoxy]ethoxy]phosphinic acid?

The InChIKey is HZSSOPOGHHMTQR-NQPTXGFUSA-N. The full InChI is InChI=1S/C34H66N5O5PSi.C34H62N5O5PSi.C31H56N5O5PSi.C31H60N5O5PSi.C31H56N5O5PSi/c2*1-28(2)46(29(3)4,30(5)6)23-19-17-15-13-11-9-8-10-12-14-16-18-20-42-21-22-44-45(40,41)27-43-31(7)24-39-26-38-32-33(35)36-25-37-34(32)39;1-27(23-36-25-35-28-29(32)33-24-34-30(28)36)40-26-42(37,38)41-21-20-39-19-17-15-13-11-9-7-8-10-12-14-16-18-22-43(5,6)31(2,3)4;2*1-5-43(6-2,7-3)23-19-17-15-13-11-9-8-10-12-14-16-18-20-39-21-22-41-42(37,38)27-40-28(4)24-36-26-35-29-30(32)33-25-34-31(29)36/h25-26,28-31H,8-24,27H2,1-7H3,(H,40,41)(H2,35,36,37);25-26,28-31H,8-18,20-22,24,27H2,1-7H3,(H,40,41)(H2,35,36,37);24-25,27H,7-17,19-21,23,26H2,1-6H3,(H,37,38)(H2,32,33,34);25-26,28H,5-24,27H2,1-4H3,(H,37,38)(H2,32,33,34);25-26,28H,5-18,20-22,24,27H2,1-4H3,(H,37,38)(H2,32,33,34)/t2*31-;27-;2*28-/m11111/s1.

What are the key properties of [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-[tert-butyl(dimethyl)silyl]tetradec-13-ynoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradec-13-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradecoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradec-13-ynoxy]ethoxy]phosphinic acid?

[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-[tert-butyl(dimethyl)silyl]tetradec-13-ynoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradec-13-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradecoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradec-13-ynoxy]ethoxy]phosphinic acid has a molecular weight of 3281.62 g/mol, XLogP of 40.70, 123 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-[14-[tert-butyl(dimethyl)silyl]tetradec-13-ynoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradecoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-(14-triethylsilyltetradec-13-ynoxy)ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradecoxy]ethoxy]phosphinic acid;[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[2-[14-tri(propan-2-yl)silyltetradec-13-ynoxy]ethoxy]phosphinic acid is sourced from PubChem (CID 167587619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).