1-[(6aR,8R,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione

C22H40N2O8Si2 — CID 10874982

About 1-[(6aR,8R,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione

1-[(6aR,8R,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione (PubChem CID 10874982) has the molecular formula C22H40N2O8Si2 and a molecular weight of 516.74 g/mol. Its IUPAC name is 1-[(6aR,8R,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(6aR,8R,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione
• PubChem CID: 10874982
• Molecular Formula: C22H40N2O8Si2
• Molecular Weight: 516.74 g/mol
• Exact Mass: 516.23
• IUPAC Name: 1-[(6aR,8R,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione
• SMILES: CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@](CO)(n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1
• InChI: InChI=1S/C22H40N2O8Si2/c1-13(2)33(14(3)4)29-11-17-19(31-34(32-33,15(5)6)16(7)8)20(27)22(12-25,30-17)24-10-9-18(26)23-21(24)28/h9-10,13-17,19-20,25,27H,11-12H2,1-8H3,(H,23,26,28)/t17-,19-,20-,22-/m1/s1
• InChIKey: HWIQXQIKSHYBCY-JWUVWSEFSA-N
• XLogP: 1.90
• TPSA: 132.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.74
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	3
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 1-[(6aR,8R,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione?

The IUPAC name of 1-[(6aR,8R,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione (CID 10874982) is 1-[(6aR,8R,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[(6aR,8R,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[(6aR,8R,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione is CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@](CO)(n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1.

What is the InChIKey of 1-[(6aR,8R,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione?

The InChIKey is HWIQXQIKSHYBCY-JWUVWSEFSA-N. The full InChI is InChI=1S/C22H40N2O8Si2/c1-13(2)33(14(3)4)29-11-17-19(31-34(32-33,15(5)6)16(7)8)20(27)22(12-25,30-17)24-10-9-18(26)23-21(24)28/h9-10,13-17,19-20,25,27H,11-12H2,1-8H3,(H,23,26,28)/t17-,19-,20-,22-/m1/s1.

What are the key properties of 1-[(6aR,8R,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione?

1-[(6aR,8R,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione has a molecular weight of 516.74 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6aR,8R,9R,9aS)-9-hydroxy-8-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 10874982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).