[(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate

C26H33NO6Si — CID 11145327

IUPAC[(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N(COC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C26H33NO6Si/c1-18(33-34(5,6)26(2,3)4)21-22(28)27(17-31-24(29)19-13-9-7-10-14-19)23(21)32-25(30)20-15-11-8-12-16-20/h7-16,18,21,23H,17H2,1-6H3/t18-,21+,23-/m1/s1
InChIKeyFSOFOOOBIFICJZ-RZFNWQHOSA-N
MW483.64 g/mol
LogP4.85
Rot. Bonds8

About [(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate

[(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate (PubChem CID 11145327) has the molecular formula C26H33NO6Si and a molecular weight of 483.64 g/mol. Its IUPAC name is [(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate
PubChem CID11145327
Molecular FormulaC26H33NO6Si
Molecular Weight483.64 g/mol
Exact Mass483.21
IUPAC Name[(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N(COC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C26H33NO6Si/c1-18(33-34(5,6)26(2,3)4)21-22(28)27(17-31-24(29)19-13-9-7-10-14-19)23(21)32-25(30)20-15-11-8-12-16-20/h7-16,18,21,23H,17H2,1-6H3/t18-,21+,23-/m1/s1
InChIKeyFSOFOOOBIFICJZ-RZFNWQHOSA-N
XLogP4.85
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate?
The IUPAC name of [(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate (CID 11145327) is [(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate.
What is the SMILES notation for [(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate?
The canonical SMILES for [(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N(COC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1.
What is the InChIKey of [(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate?
The InChIKey is FSOFOOOBIFICJZ-RZFNWQHOSA-N. The full InChI is InChI=1S/C26H33NO6Si/c1-18(33-34(5,6)26(2,3)4)21-22(28)27(17-31-24(29)19-13-9-7-10-14-19)23(21)32-25(30)20-15-11-8-12-16-20/h7-16,18,21,23H,17H2,1-6H3/t18-,21+,23-/m1/s1.
What are the key properties of [(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate?
[(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate has a molecular weight of 483.64 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-benzoyloxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-1-yl]methyl benzoate is sourced from PubChem (CID 11145327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).