N-[7-[(6aR,8S,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethynyl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-2-methylpropanamide

C34H58N4O7Si3 — CID 123344760

About N-[7-[(6aR,8S,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethynyl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-2-methylpropanamide

N-[7-[(6aR,8S,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethynyl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-2-methylpropanamide (PubChem CID 123344760) has the molecular formula C34H58N4O7Si3 and a molecular weight of 719.12 g/mol. Its IUPAC name is N-[7-[(6aR,8S,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethynyl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[7-[(6aR,8S,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethynyl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-2-methylpropanamide
• PubChem CID: 123344760
• Molecular Formula: C34H58N4O7Si3
• Molecular Weight: 719.12 g/mol
• Exact Mass: 718.36
• IUPAC Name: N-[7-[(6aR,8S,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethynyl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-2-methylpropanamide
• SMILES: CCOc1nc(NC(=O)C(C)C)nc2c([C@@H]3O[C@@H]4CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]4[C@@]3(O)C#C[Si](C)(C)C)c[nH]c12
• InChI: InChI=1S/C34H58N4O7Si3/c1-15-41-32-28-27(36-33(38-32)37-31(39)20(2)3)25(18-35-28)29-34(40,16-17-46(12,13)14)30-26(43-29)19-42-47(21(4)5,22(6)7)45-48(44-30,23(8)9)24(10)11/h18,20-24,26,29-30,35,40H,15,19H2,1-14H3,(H,36,37,38,39)/t26-,29+,30-,34-/m1/s1
• InChIKey: OUSBWLFAXKFWDL-AVXALUGFSA-N
• XLogP: 6.96
• TPSA: 137.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.12
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[7-[(6aR,8S,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethynyl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-2-methylpropanamide?

The IUPAC name of N-[7-[(6aR,8S,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethynyl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-2-methylpropanamide (CID 123344760) is N-[7-[(6aR,8S,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethynyl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-2-methylpropanamide.

What is the SMILES notation for N-[7-[(6aR,8S,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethynyl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-2-methylpropanamide?

The canonical SMILES for N-[7-[(6aR,8S,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethynyl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-2-methylpropanamide is CCOc1nc(NC(=O)C(C)C)nc2c([C@@H]3O[C@@H]4CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]4[C@@]3(O)C#C[Si](C)(C)C)c[nH]c12.

What is the InChIKey of N-[7-[(6aR,8S,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethynyl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-2-methylpropanamide?

The InChIKey is OUSBWLFAXKFWDL-AVXALUGFSA-N. The full InChI is InChI=1S/C34H58N4O7Si3/c1-15-41-32-28-27(36-33(38-32)37-31(39)20(2)3)25(18-35-28)29-34(40,16-17-46(12,13)14)30-26(43-29)19-42-47(21(4)5,22(6)7)45-48(44-30,23(8)9)24(10)11/h18,20-24,26,29-30,35,40H,15,19H2,1-14H3,(H,36,37,38,39)/t26-,29+,30-,34-/m1/s1.

What are the key properties of N-[7-[(6aR,8S,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethynyl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-2-methylpropanamide?

N-[7-[(6aR,8S,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethynyl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-2-methylpropanamide has a molecular weight of 719.12 g/mol, XLogP of 6.96, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[(6aR,8S,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-9-(2-trimethylsilylethynyl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 123344760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).