2-trimethylsilylethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(furan-2-carbonylsulfanyl)-4-oxoazetidin-1-yl]-2-oxoacetate

C23H37NO7SSi2 — CID 10885914

About 2-trimethylsilylethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(furan-2-carbonylsulfanyl)-4-oxoazetidin-1-yl]-2-oxoacetate

2-trimethylsilylethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(furan-2-carbonylsulfanyl)-4-oxoazetidin-1-yl]-2-oxoacetate (PubChem CID 10885914) has the molecular formula C23H37NO7SSi2 and a molecular weight of 527.79 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(furan-2-carbonylsulfanyl)-4-oxoazetidin-1-yl]-2-oxoacetate.

Molecular Properties

• Compound Name: 2-trimethylsilylethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(furan-2-carbonylsulfanyl)-4-oxoazetidin-1-yl]-2-oxoacetate
• PubChem CID: 10885914
• Molecular Formula: C23H37NO7SSi2
• Molecular Weight: 527.79 g/mol
• Exact Mass: 527.18
• IUPAC Name: 2-trimethylsilylethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(furan-2-carbonylsulfanyl)-4-oxoazetidin-1-yl]-2-oxoacetate
• SMILES: C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N(C(=O)C(=O)OCC[Si](C)(C)C)[C@@H]1SC(=O)c1ccco1
• InChI: InChI=1S/C23H37NO7SSi2/c1-15(31-34(8,9)23(2,3)4)17-18(25)24(19(26)21(27)30-13-14-33(5,6)7)20(17)32-22(28)16-11-10-12-29-16/h10-12,15,17,20H,13-14H2,1-9H3/t15-,17+,20-/m1/s1
• InChIKey: BHZBXCGKJGIVQP-OXFYSEKESA-N
• XLogP: 4.76
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.79
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(furan-2-carbonylsulfanyl)-4-oxoazetidin-1-yl]-2-oxoacetate?

The IUPAC name of 2-trimethylsilylethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(furan-2-carbonylsulfanyl)-4-oxoazetidin-1-yl]-2-oxoacetate (CID 10885914) is 2-trimethylsilylethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(furan-2-carbonylsulfanyl)-4-oxoazetidin-1-yl]-2-oxoacetate.

What is the SMILES notation for 2-trimethylsilylethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(furan-2-carbonylsulfanyl)-4-oxoazetidin-1-yl]-2-oxoacetate?

The canonical SMILES for 2-trimethylsilylethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(furan-2-carbonylsulfanyl)-4-oxoazetidin-1-yl]-2-oxoacetate is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N(C(=O)C(=O)OCC[Si](C)(C)C)[C@@H]1SC(=O)c1ccco1.

What is the InChIKey of 2-trimethylsilylethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(furan-2-carbonylsulfanyl)-4-oxoazetidin-1-yl]-2-oxoacetate?

The InChIKey is BHZBXCGKJGIVQP-OXFYSEKESA-N. The full InChI is InChI=1S/C23H37NO7SSi2/c1-15(31-34(8,9)23(2,3)4)17-18(25)24(19(26)21(27)30-13-14-33(5,6)7)20(17)32-22(28)16-11-10-12-29-16/h10-12,15,17,20H,13-14H2,1-9H3/t15-,17+,20-/m1/s1.

What are the key properties of 2-trimethylsilylethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(furan-2-carbonylsulfanyl)-4-oxoazetidin-1-yl]-2-oxoacetate?

2-trimethylsilylethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(furan-2-carbonylsulfanyl)-4-oxoazetidin-1-yl]-2-oxoacetate has a molecular weight of 527.79 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-trimethylsilylethyl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(furan-2-carbonylsulfanyl)-4-oxoazetidin-1-yl]-2-oxoacetate is sourced from PubChem (CID 10885914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).