[8-(2-amino-6-oxo-1H-purin-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] 2-methoxyacetate

C25H43N5O8Si2 — CID 135503356

About [8-(2-amino-6-oxo-1H-purin-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] 2-methoxyacetate

[8-(2-amino-6-oxo-1H-purin-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] 2-methoxyacetate (PubChem CID 135503356) has the molecular formula C25H43N5O8Si2 and a molecular weight of 597.82 g/mol. Its IUPAC name is [8-(2-amino-6-oxo-1H-purin-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] 2-methoxyacetate.

Molecular Properties

• Compound Name: [8-(2-amino-6-oxo-1H-purin-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] 2-methoxyacetate
• PubChem CID: 135503356
• Molecular Formula: C25H43N5O8Si2
• Molecular Weight: 597.82 g/mol
• Exact Mass: 597.27
• IUPAC Name: [8-(2-amino-6-oxo-1H-purin-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] 2-methoxyacetate
• SMILES: COCC(=O)OC1C2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OCC2OC1n1cnc2c(=O)[nH]c(N)nc21
• InChI: InChI=1S/C25H43N5O8Si2/c1-13(2)39(14(3)4)34-10-17-20(37-40(38-39,15(5)6)16(7)8)21(36-18(31)11-33-9)24(35-17)30-12-27-19-22(30)28-25(26)29-23(19)32/h12-17,20-21,24H,10-11H2,1-9H3,(H3,26,28,29,32)
• InChIKey: OMOPLYNPZGHPQS-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 162.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.82
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [8-(2-amino-6-oxo-1H-purin-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] 2-methoxyacetate?

The IUPAC name of [8-(2-amino-6-oxo-1H-purin-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] 2-methoxyacetate (CID 135503356) is [8-(2-amino-6-oxo-1H-purin-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] 2-methoxyacetate.

What is the SMILES notation for [8-(2-amino-6-oxo-1H-purin-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] 2-methoxyacetate?

The canonical SMILES for [8-(2-amino-6-oxo-1H-purin-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] 2-methoxyacetate is COCC(=O)OC1C2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OCC2OC1n1cnc2c(=O)[nH]c(N)nc21.

What is the InChIKey of [8-(2-amino-6-oxo-1H-purin-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] 2-methoxyacetate?

The InChIKey is OMOPLYNPZGHPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N5O8Si2/c1-13(2)39(14(3)4)34-10-17-20(37-40(38-39,15(5)6)16(7)8)21(36-18(31)11-33-9)24(35-17)30-12-27-19-22(30)28-25(26)29-23(19)32/h12-17,20-21,24H,10-11H2,1-9H3,(H3,26,28,29,32).

What are the key properties of [8-(2-amino-6-oxo-1H-purin-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] 2-methoxyacetate?

[8-(2-amino-6-oxo-1H-purin-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] 2-methoxyacetate has a molecular weight of 597.82 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [8-(2-amino-6-oxo-1H-purin-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] 2-methoxyacetate is sourced from PubChem (CID 135503356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).