bis(trimethylsilyl) [2,4,6-trioxo-4,6-bis(trimethylsilyloxy)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl] phosphate

C12H36O12P4Si4 — CID 12781802

About bis(trimethylsilyl) [2,4,6-trioxo-4,6-bis(trimethylsilyloxy)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl] phosphate

bis(trimethylsilyl) [2,4,6-trioxo-4,6-bis(trimethylsilyloxy)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl] phosphate (PubChem CID 12781802) has the molecular formula C12H36O12P4Si4 and a molecular weight of 608.65 g/mol. Its IUPAC name is bis(trimethylsilyl) [2,4,6-trioxo-4,6-bis(trimethylsilyloxy)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl] phosphate.

Molecular Properties

• Compound Name: bis(trimethylsilyl) [2,4,6-trioxo-4,6-bis(trimethylsilyloxy)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl] phosphate
• PubChem CID: 12781802
• Molecular Formula: C12H36O12P4Si4
• Molecular Weight: 608.65 g/mol
• Exact Mass: 608.02
• IUPAC Name: bis(trimethylsilyl) [2,4,6-trioxo-4,6-bis(trimethylsilyloxy)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl] phosphate
• SMILES: C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP1(=O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O1
• InChI: InChI=1S/C12H36O12P4Si4/c1-29(2,3)21-26(14)17-25(13,18-27(15,20-26)22-30(4,5)6)19-28(16,23-31(7,8)9)24-32(10,11)12/h1-12H3
• InChIKey: GLDHDIGHLPPUAO-UHFFFAOYSA-N
• XLogP: 7.90
• TPSA: 142.12 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	608.65
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) [2,4,6-trioxo-4,6-bis(trimethylsilyloxy)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl] phosphate?

The IUPAC name of bis(trimethylsilyl) [2,4,6-trioxo-4,6-bis(trimethylsilyloxy)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl] phosphate (CID 12781802) is bis(trimethylsilyl) [2,4,6-trioxo-4,6-bis(trimethylsilyloxy)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl] phosphate.

What is the SMILES notation for bis(trimethylsilyl) [2,4,6-trioxo-4,6-bis(trimethylsilyloxy)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl] phosphate?

The canonical SMILES for bis(trimethylsilyl) [2,4,6-trioxo-4,6-bis(trimethylsilyloxy)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl] phosphate is C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP1(=O)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O1.

What is the InChIKey of bis(trimethylsilyl) [2,4,6-trioxo-4,6-bis(trimethylsilyloxy)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl] phosphate?

The InChIKey is GLDHDIGHLPPUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H36O12P4Si4/c1-29(2,3)21-26(14)17-25(13,18-27(15,20-26)22-30(4,5)6)19-28(16,23-31(7,8)9)24-32(10,11)12/h1-12H3.

What are the key properties of bis(trimethylsilyl) [2,4,6-trioxo-4,6-bis(trimethylsilyloxy)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl] phosphate?

bis(trimethylsilyl) [2,4,6-trioxo-4,6-bis(trimethylsilyloxy)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl] phosphate has a molecular weight of 608.65 g/mol, XLogP of 7.90, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(trimethylsilyl) [2,4,6-trioxo-4,6-bis(trimethylsilyloxy)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinan-2-yl] phosphate is sourced from PubChem (CID 12781802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).