[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane

C32H56N4O4SSi3 — CID 11828548

About [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11828548) has the molecular formula C32H56N4O4SSi3 and a molecular weight of 677.15 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
• PubChem CID: 11828548
• Molecular Formula: C32H56N4O4SSi3
• Molecular Weight: 677.15 g/mol
• Exact Mass: 676.33
• IUPAC Name: [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(-c4cccs4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C32H56N4O4SSi3/c1-30(2,3)42(10,11)37-19-22-26(39-43(12,13)31(4,5)6)27(40-44(14,15)32(7,8)9)29(38-22)36-21-35-25-24(23-17-16-18-41-23)33-20-34-28(25)36/h16-18,20-22,26-27,29H,19H2,1-15H3/t22-,26-,27-,29-/m1/s1
• InChIKey: WLJBREQWYLJPHN-XGELUGHYSA-N
• XLogP: 9.25
• TPSA: 80.52 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.15
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 11828548) is [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(-c4cccs4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?

The InChIKey is WLJBREQWYLJPHN-XGELUGHYSA-N. The full InChI is InChI=1S/C32H56N4O4SSi3/c1-30(2,3)42(10,11)37-19-22-26(39-43(12,13)31(4,5)6)27(40-44(14,15)32(7,8)9)29(38-22)36-21-35-25-24(23-17-16-18-41-23)33-20-34-28(25)36/h16-18,20-22,26-27,29H,19H2,1-15H3/t22-,26-,27-,29-/m1/s1.

What are the key properties of [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?

[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 677.15 g/mol, XLogP of 9.25, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-thiophen-2-ylpurin-9-yl)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11828548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).