[(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate

C22H27FO4Si — CID 59400967

IUPAC[(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate
SMILESCC(=O)O[C@@H]1O[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1F
InChIInChI=1S/C22H27FO4Si/c1-16(24)25-21-19(23)15-20(26-21)27-28(22(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-21H,15H2,1-4H3/t19-,20-,21-/m1/s1
InChIKeyZUTNNXJETTYTLX-NJDAHSKKSA-N
MW402.54 g/mol
LogP3.54
Rot. Bonds5

About [(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate

[(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate (PubChem CID 59400967) has the molecular formula C22H27FO4Si and a molecular weight of 402.54 g/mol. Its IUPAC name is [(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate
PubChem CID59400967
Molecular FormulaC22H27FO4Si
Molecular Weight402.54 g/mol
Exact Mass402.17
IUPAC Name[(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate
SMILESCC(=O)O[C@@H]1O[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1F
InChIInChI=1S/C22H27FO4Si/c1-16(24)25-21-19(23)15-20(26-21)27-28(22(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-21H,15H2,1-4H3/t19-,20-,21-/m1/s1
InChIKeyZUTNNXJETTYTLX-NJDAHSKKSA-N
XLogP3.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate?
The IUPAC name of [(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate (CID 59400967) is [(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate.
What is the SMILES notation for [(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate?
The canonical SMILES for [(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate is CC(=O)O[C@@H]1O[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1F.
What is the InChIKey of [(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate?
The InChIKey is ZUTNNXJETTYTLX-NJDAHSKKSA-N. The full InChI is InChI=1S/C22H27FO4Si/c1-16(24)25-21-19(23)15-20(26-21)27-28(22(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19-21H,15H2,1-4H3/t19-,20-,21-/m1/s1.
What are the key properties of [(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate?
[(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate has a molecular weight of 402.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-fluorooxolan-2-yl] acetate is sourced from PubChem (CID 59400967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).