[(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate

C26H33FO6Si — CID 140772737

IUPAC[(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate
SMILESCC(=O)OC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CF)[C@H]1OC(C)=O
InChIInChI=1S/C26H33FO6Si/c1-18(28)31-24-22(16-27)23(33-25(24)32-19(2)29)17-30-34(26(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-25H,16-17H2,1-5H3/t22-,23-,24-,25?/m1/s1
InChIKeyLUTIECIAYOWKJH-AWYPOSSQSA-N
MW488.63 g/mol
LogP3.37
Rot. Bonds8

About [(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate

[(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate (PubChem CID 140772737) has the molecular formula C26H33FO6Si and a molecular weight of 488.63 g/mol. Its IUPAC name is [(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate
PubChem CID140772737
Molecular FormulaC26H33FO6Si
Molecular Weight488.63 g/mol
Exact Mass488.20
IUPAC Name[(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate
SMILESCC(=O)OC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CF)[C@H]1OC(C)=O
InChIInChI=1S/C26H33FO6Si/c1-18(28)31-24-22(16-27)23(33-25(24)32-19(2)29)17-30-34(26(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-25H,16-17H2,1-5H3/t22-,23-,24-,25?/m1/s1
InChIKeyLUTIECIAYOWKJH-AWYPOSSQSA-N
XLogP3.37
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 53.37
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 [(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate?
The IUPAC name of [(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate (CID 140772737) is [(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate.
What is the SMILES notation for [(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate?
The canonical SMILES for [(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate is CC(=O)OC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](CF)[C@H]1OC(C)=O.
What is the InChIKey of [(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate?
The InChIKey is LUTIECIAYOWKJH-AWYPOSSQSA-N. The full InChI is InChI=1S/C26H33FO6Si/c1-18(28)31-24-22(16-27)23(33-25(24)32-19(2)29)17-30-34(26(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,22-25H,16-17H2,1-5H3/t22-,23-,24-,25?/m1/s1.
What are the key properties of [(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate?
[(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate has a molecular weight of 488.63 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)oxolan-3-yl] acetate is sourced from PubChem (CID 140772737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).