9-[(6aR,8R,9aS)-9-methylselanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine

C23H41N5O4SeSi2 — CID 162465120

About 9-[(6aR,8R,9aS)-9-methylselanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine

9-[(6aR,8R,9aS)-9-methylselanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine (PubChem CID 162465120) has the molecular formula C23H41N5O4SeSi2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 9-[(6aR,8R,9aS)-9-methylselanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine.

Molecular Properties

• Compound Name: 9-[(6aR,8R,9aS)-9-methylselanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine
• PubChem CID: 162465120
• Molecular Formula: C23H41N5O4SeSi2
• Molecular Weight: 586.74 g/mol
• Exact Mass: 587.19
• IUPAC Name: 9-[(6aR,8R,9aS)-9-methylselanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine
• SMILES: C[Se]C1[C@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1cnc2c(N)ncnc21
• InChI: InChI=1S/C23H41N5O4SeSi2/c1-13(2)34(14(3)4)29-10-17-19(31-35(32-34,15(5)6)16(7)8)20(33-9)23(30-17)28-12-27-18-21(24)25-11-26-22(18)28/h11-17,19-20,23H,10H2,1-9H3,(H2,24,25,26)/t17-,19+,20?,23-/m1/s1
• InChIKey: ODUYQDHXOCNDRH-BVLVASOUSA-N
• XLogP: 4.80
• TPSA: 106.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.74
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
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 9-[(6aR,8R,9aS)-9-methylselanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine?

The IUPAC name of 9-[(6aR,8R,9aS)-9-methylselanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine (CID 162465120) is 9-[(6aR,8R,9aS)-9-methylselanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine.

What is the SMILES notation for 9-[(6aR,8R,9aS)-9-methylselanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine?

The canonical SMILES for 9-[(6aR,8R,9aS)-9-methylselanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine is C[Se]C1[C@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1cnc2c(N)ncnc21.

What is the InChIKey of 9-[(6aR,8R,9aS)-9-methylselanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine?

The InChIKey is ODUYQDHXOCNDRH-BVLVASOUSA-N. The full InChI is InChI=1S/C23H41N5O4SeSi2/c1-13(2)34(14(3)4)29-10-17-19(31-35(32-34,15(5)6)16(7)8)20(33-9)23(30-17)28-12-27-18-21(24)25-11-26-22(18)28/h11-17,19-20,23H,10H2,1-9H3,(H2,24,25,26)/t17-,19+,20?,23-/m1/s1.

What are the key properties of 9-[(6aR,8R,9aS)-9-methylselanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine?

9-[(6aR,8R,9aS)-9-methylselanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine has a molecular weight of 586.74 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(6aR,8R,9aS)-9-methylselanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine is sourced from PubChem (CID 162465120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).