tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(6-pyrrolo[2,3-b]pyridin-1-ylpurin-9-yl)oxolan-3-yl]oxy-dimethylsilane

C29H44N6O3Si2 — CID 102387732

About tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(6-pyrrolo[2,3-b]pyridin-1-ylpurin-9-yl)oxolan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(6-pyrrolo[2,3-b]pyridin-1-ylpurin-9-yl)oxolan-3-yl]oxy-dimethylsilane (PubChem CID 102387732) has the molecular formula C29H44N6O3Si2 and a molecular weight of 580.88 g/mol. Its IUPAC name is tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(6-pyrrolo[2,3-b]pyridin-1-ylpurin-9-yl)oxolan-3-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(6-pyrrolo[2,3-b]pyridin-1-ylpurin-9-yl)oxolan-3-yl]oxy-dimethylsilane
• PubChem CID: 102387732
• Molecular Formula: C29H44N6O3Si2
• Molecular Weight: 580.88 g/mol
• Exact Mass: 580.30
• IUPAC Name: tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(6-pyrrolo[2,3-b]pyridin-1-ylpurin-9-yl)oxolan-3-yl]oxy-dimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(-n4ccc5cccnc54)ncnc32)C[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C29H44N6O3Si2/c1-28(2,3)39(7,8)36-17-22-21(38-40(9,10)29(4,5)6)16-23(37-22)35-19-33-24-26(31-18-32-27(24)35)34-15-13-20-12-11-14-30-25(20)34/h11-15,18-19,21-23H,16-17H2,1-10H3/t21-,22+,23+/m0/s1
• InChIKey: HGGWGDJPMRWDHH-YTFSRNRJSA-N
• XLogP: 6.86
• TPSA: 89.11 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.88
LogP ≤ 5	6.86
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 tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(6-pyrrolo[2,3-b]pyridin-1-ylpurin-9-yl)oxolan-3-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(6-pyrrolo[2,3-b]pyridin-1-ylpurin-9-yl)oxolan-3-yl]oxy-dimethylsilane (CID 102387732) is tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(6-pyrrolo[2,3-b]pyridin-1-ylpurin-9-yl)oxolan-3-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(6-pyrrolo[2,3-b]pyridin-1-ylpurin-9-yl)oxolan-3-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(6-pyrrolo[2,3-b]pyridin-1-ylpurin-9-yl)oxolan-3-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(-n4ccc5cccnc54)ncnc32)C[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(6-pyrrolo[2,3-b]pyridin-1-ylpurin-9-yl)oxolan-3-yl]oxy-dimethylsilane?

The InChIKey is HGGWGDJPMRWDHH-YTFSRNRJSA-N. The full InChI is InChI=1S/C29H44N6O3Si2/c1-28(2,3)39(7,8)36-17-22-21(38-40(9,10)29(4,5)6)16-23(37-22)35-19-33-24-26(31-18-32-27(24)35)34-15-13-20-12-11-14-30-25(20)34/h11-15,18-19,21-23H,16-17H2,1-10H3/t21-,22+,23+/m0/s1.

What are the key properties of tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(6-pyrrolo[2,3-b]pyridin-1-ylpurin-9-yl)oxolan-3-yl]oxy-dimethylsilane?

tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(6-pyrrolo[2,3-b]pyridin-1-ylpurin-9-yl)oxolan-3-yl]oxy-dimethylsilane has a molecular weight of 580.88 g/mol, XLogP of 6.86, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(6-pyrrolo[2,3-b]pyridin-1-ylpurin-9-yl)oxolan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 102387732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).