methyl 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxo-4H-imidazole-5-carboxylate

C22H42N2O6Si2 — CID 67841750

About methyl 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxo-4H-imidazole-5-carboxylate

methyl 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxo-4H-imidazole-5-carboxylate (PubChem CID 67841750) has the molecular formula C22H42N2O6Si2 and a molecular weight of 486.76 g/mol. Its IUPAC name is methyl 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxo-4H-imidazole-5-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxo-4H-imidazole-5-carboxylate
• PubChem CID: 67841750
• Molecular Formula: C22H42N2O6Si2
• Molecular Weight: 486.76 g/mol
• Exact Mass: 486.26
• IUPAC Name: methyl 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxo-4H-imidazole-5-carboxylate
• SMILES: COC(=O)C1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)C1
• InChI: InChI=1S/C22H42N2O6Si2/c1-21(2,3)31(8,9)28-14-17-16(30-32(10,11)22(4,5)6)12-18(29-17)24-13-15(19(25)27-7)23-20(24)26/h16-18H,12-14H2,1-11H3/t16-,17+,18+/m0/s1
• InChIKey: XQYGJGZHSCRARN-RCCFBDPRSA-N
• XLogP: 4.56
• TPSA: 86.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.76
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxo-4H-imidazole-5-carboxylate?

The IUPAC name of methyl 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxo-4H-imidazole-5-carboxylate (CID 67841750) is methyl 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxo-4H-imidazole-5-carboxylate.

What is the SMILES notation for methyl 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxo-4H-imidazole-5-carboxylate?

The canonical SMILES for methyl 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxo-4H-imidazole-5-carboxylate is COC(=O)C1=NC(=O)N([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)C1.

What is the InChIKey of methyl 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxo-4H-imidazole-5-carboxylate?

The InChIKey is XQYGJGZHSCRARN-RCCFBDPRSA-N. The full InChI is InChI=1S/C22H42N2O6Si2/c1-21(2,3)31(8,9)28-14-17-16(30-32(10,11)22(4,5)6)12-18(29-17)24-13-15(19(25)27-7)23-20(24)26/h16-18H,12-14H2,1-11H3/t16-,17+,18+/m0/s1.

What are the key properties of methyl 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxo-4H-imidazole-5-carboxylate?

methyl 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxo-4H-imidazole-5-carboxylate has a molecular weight of 486.76 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-oxo-4H-imidazole-5-carboxylate is sourced from PubChem (CID 67841750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).