2-[[8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]ethanol

C24H43N5O6Si2 — CID 22592794

About 2-[[8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]ethanol

2-[[8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]ethanol (PubChem CID 22592794) has the molecular formula C24H43N5O6Si2 and a molecular weight of 553.81 g/mol. Its IUPAC name is 2-[[8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]ethanol.

Molecular Properties

• Compound Name: 2-[[8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]ethanol
• PubChem CID: 22592794
• Molecular Formula: C24H43N5O6Si2
• Molecular Weight: 553.81 g/mol
• Exact Mass: 553.28
• IUPAC Name: 2-[[8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]ethanol
• SMILES: CC(C)[Si]1(C(C)C)OCC2OC(n3cnc4c(N)ncnc43)C(OCCO)C2O[Si](C(C)C)(C(C)C)O1
• InChI: InChI=1S/C24H43N5O6Si2/c1-14(2)36(15(3)4)32-11-18-20(34-37(35-36,16(5)6)17(7)8)21(31-10-9-30)24(33-18)29-13-28-19-22(25)26-12-27-23(19)29/h12-18,20-21,24,30H,9-11H2,1-8H3,(H2,25,26,27)
• InChIKey: AMHBVCOWFWMJNP-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 136.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.81
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]ethanol?

The IUPAC name of 2-[[8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]ethanol (CID 22592794) is 2-[[8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]ethanol.

What is the SMILES notation for 2-[[8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]ethanol?

The canonical SMILES for 2-[[8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]ethanol is CC(C)[Si]1(C(C)C)OCC2OC(n3cnc4c(N)ncnc43)C(OCCO)C2O[Si](C(C)C)(C(C)C)O1.

What is the InChIKey of 2-[[8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]ethanol?

The InChIKey is AMHBVCOWFWMJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N5O6Si2/c1-14(2)36(15(3)4)32-11-18-20(34-37(35-36,16(5)6)17(7)8)21(31-10-9-30)24(33-18)29-13-28-19-22(25)26-12-27-23(19)29/h12-18,20-21,24,30H,9-11H2,1-8H3,(H2,25,26,27).

What are the key properties of 2-[[8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]ethanol?

2-[[8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]ethanol has a molecular weight of 553.81 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy]ethanol is sourced from PubChem (CID 22592794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).