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

C27H51N5O4SSi3 — CID 11479135

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

9-[(6aR,8R,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethylsulfanyl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine (PubChem CID 11479135) has the molecular formula C27H51N5O4SSi3 and a molecular weight of 626.06 g/mol. Its IUPAC name is 9-[(6aR,8R,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethylsulfanyl)-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,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethylsulfanyl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine
• PubChem CID: 11479135
• Molecular Formula: C27H51N5O4SSi3
• Molecular Weight: 626.06 g/mol
• Exact Mass: 625.30
• IUPAC Name: 9-[(6aR,8R,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethylsulfanyl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine
• SMILES: CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](SCC[Si](C)(C)C)[C@@H]2O[Si](C(C)C)(C(C)C)O1
• InChI: InChI=1S/C27H51N5O4SSi3/c1-17(2)39(18(3)4)33-14-21-23(35-40(36-39,19(5)6)20(7)8)24(37-12-13-38(9,10)11)27(34-21)32-16-31-22-25(28)29-15-30-26(22)32/h15-21,23-24,27H,12-14H2,1-11H3,(H2,28,29,30)/t21-,23-,24+,27-/m1/s1
• InChIKey: PURIOYNNNUQMJA-GJGGBTFWSA-N
• XLogP: 6.70
• TPSA: 106.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.06
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[(6aR,8R,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethylsulfanyl)-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,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethylsulfanyl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine (CID 11479135) is 9-[(6aR,8R,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethylsulfanyl)-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,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethylsulfanyl)-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,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethylsulfanyl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine is CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](SCC[Si](C)(C)C)[C@@H]2O[Si](C(C)C)(C(C)C)O1.

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

The InChIKey is PURIOYNNNUQMJA-GJGGBTFWSA-N. The full InChI is InChI=1S/C27H51N5O4SSi3/c1-17(2)39(18(3)4)33-14-21-23(35-40(36-39,19(5)6)20(7)8)24(37-12-13-38(9,10)11)27(34-21)32-16-31-22-25(28)29-15-30-26(22)32/h15-21,23-24,27H,12-14H2,1-11H3,(H2,28,29,30)/t21-,23-,24+,27-/m1/s1.

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

9-[(6aR,8R,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethylsulfanyl)-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 626.06 g/mol, XLogP of 6.70, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(6aR,8R,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethylsulfanyl)-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 11479135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).