trimethylsilyl (6R)-3-(acetyloxymethyl)-8-oxo-7-(trimethylsilyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C17H28N2O7SSi2 — CID 70425797

About trimethylsilyl (6R)-3-(acetyloxymethyl)-8-oxo-7-(trimethylsilyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

trimethylsilyl (6R)-3-(acetyloxymethyl)-8-oxo-7-(trimethylsilyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (PubChem CID 70425797) has the molecular formula C17H28N2O7SSi2 and a molecular weight of 460.66 g/mol. Its IUPAC name is trimethylsilyl (6R)-3-(acetyloxymethyl)-8-oxo-7-(trimethylsilyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

Molecular Properties

• Compound Name: trimethylsilyl (6R)-3-(acetyloxymethyl)-8-oxo-7-(trimethylsilyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• PubChem CID: 70425797
• Molecular Formula: C17H28N2O7SSi2
• Molecular Weight: 460.66 g/mol
• Exact Mass: 460.12
• IUPAC Name: trimethylsilyl (6R)-3-(acetyloxymethyl)-8-oxo-7-(trimethylsilyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• SMILES: CC(=O)OCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)C(NC(=O)O[Si](C)(C)C)[C@H]2SC1
• InChI: InChI=1S/C17H28N2O7SSi2/c1-10(20)24-8-11-9-27-15-12(18-17(23)26-29(5,6)7)14(21)19(15)13(11)16(22)25-28(2,3)4/h12,15H,8-9H2,1-7H3,(H,18,23)/t12?,15-/m1/s1
• InChIKey: CFOCNCWLOMPABD-WPZCJLIBSA-N
• XLogP: 2.03
• TPSA: 111.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.66
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (6R)-3-(acetyloxymethyl)-8-oxo-7-(trimethylsilyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?

The IUPAC name of trimethylsilyl (6R)-3-(acetyloxymethyl)-8-oxo-7-(trimethylsilyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CID 70425797) is trimethylsilyl (6R)-3-(acetyloxymethyl)-8-oxo-7-(trimethylsilyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

What is the SMILES notation for trimethylsilyl (6R)-3-(acetyloxymethyl)-8-oxo-7-(trimethylsilyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?

The canonical SMILES for trimethylsilyl (6R)-3-(acetyloxymethyl)-8-oxo-7-(trimethylsilyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is CC(=O)OCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)C(NC(=O)O[Si](C)(C)C)[C@H]2SC1.

What is the InChIKey of trimethylsilyl (6R)-3-(acetyloxymethyl)-8-oxo-7-(trimethylsilyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?

The InChIKey is CFOCNCWLOMPABD-WPZCJLIBSA-N. The full InChI is InChI=1S/C17H28N2O7SSi2/c1-10(20)24-8-11-9-27-15-12(18-17(23)26-29(5,6)7)14(21)19(15)13(11)16(22)25-28(2,3)4/h12,15H,8-9H2,1-7H3,(H,18,23)/t12?,15-/m1/s1.

What are the key properties of trimethylsilyl (6R)-3-(acetyloxymethyl)-8-oxo-7-(trimethylsilyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?

trimethylsilyl (6R)-3-(acetyloxymethyl)-8-oxo-7-(trimethylsilyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate has a molecular weight of 460.66 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for trimethylsilyl (6R)-3-(acetyloxymethyl)-8-oxo-7-(trimethylsilyloxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is sourced from PubChem (CID 70425797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).