N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-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-yl]-4-methoxybenzamide

C32H49N5O7Si2 — CID 156679969

About N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-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-yl]-4-methoxybenzamide

N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-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-yl]-4-methoxybenzamide (PubChem CID 156679969) has the molecular formula C32H49N5O7Si2 and a molecular weight of 671.94 g/mol. Its IUPAC name is N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-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-yl]-4-methoxybenzamide.

Molecular Properties

• Compound Name: N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-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-yl]-4-methoxybenzamide
• PubChem CID: 156679969
• Molecular Formula: C32H49N5O7Si2
• Molecular Weight: 671.94 g/mol
• Exact Mass: 671.32
• IUPAC Name: N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-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-yl]-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]3[C@@H]2CCO)cc1
• InChI: InChI=1S/C32H49N5O7Si2/c1-19(2)45(20(3)4)41-16-26-28(43-46(44-45,21(5)6)22(7)8)25(14-15-38)32(42-26)37-18-35-27-29(33-17-34-30(27)37)36-31(39)23-10-12-24(40-9)13-11-23/h10-13,17-22,25-26,28,32,38H,14-16H2,1-9H3,(H,33,34,36,39)/t25-,26+,28-,32+/m0/s1
• InChIKey: QOYYCBBYMICJHV-XHAJMTSNSA-N
• XLogP: 5.94
• TPSA: 139.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	671.94
LogP ≤ 5	5.94
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 N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-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-yl]-4-methoxybenzamide?

The IUPAC name of N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-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-yl]-4-methoxybenzamide (CID 156679969) is N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-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-yl]-4-methoxybenzamide.

What is the SMILES notation for N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-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-yl]-4-methoxybenzamide?

The canonical SMILES for N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-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-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]3[C@@H]2CCO)cc1.

What is the InChIKey of N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-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-yl]-4-methoxybenzamide?

The InChIKey is QOYYCBBYMICJHV-XHAJMTSNSA-N. The full InChI is InChI=1S/C32H49N5O7Si2/c1-19(2)45(20(3)4)41-16-26-28(43-46(44-45,21(5)6)22(7)8)25(14-15-38)32(42-26)37-18-35-27-29(33-17-34-30(27)37)36-31(39)23-10-12-24(40-9)13-11-23/h10-13,17-22,25-26,28,32,38H,14-16H2,1-9H3,(H,33,34,36,39)/t25-,26+,28-,32+/m0/s1.

What are the key properties of N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-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-yl]-4-methoxybenzamide?

N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-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-yl]-4-methoxybenzamide has a molecular weight of 671.94 g/mol, XLogP of 5.94, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[9-[(6aR,8R,9S,9aS)-9-(2-hydroxyethyl)-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-yl]-4-methoxybenzamide is sourced from PubChem (CID 156679969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).