(3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol

C21H27FO2SSi — CID 10763004

IUPAC(3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol
SMILESCC(C)(C)[Si](OC[C@@H]1SC[C@@H](O)[C@H]1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27FO2SSi/c1-21(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-14-19-20(22)18(23)15-25-19/h4-13,18-20,23H,14-15H2,1-3H3/t18-,19+,20-/m1/s1
InChIKeyLBGPTWJOKHSTLS-HSALFYBXSA-N
MW390.60 g/mol
LogP3.38
Rot. Bonds5

About (3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol

(3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol (PubChem CID 10763004) has the molecular formula C21H27FO2SSi and a molecular weight of 390.60 g/mol. Its IUPAC name is (3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol.

Molecular Properties

Compound Name(3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol
PubChem CID10763004
Molecular FormulaC21H27FO2SSi
Molecular Weight390.60 g/mol
Exact Mass390.15
IUPAC Name(3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol
SMILESCC(C)(C)[Si](OC[C@@H]1SC[C@@H](O)[C@H]1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27FO2SSi/c1-21(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-14-19-20(22)18(23)15-25-19/h4-13,18-20,23H,14-15H2,1-3H3/t18-,19+,20-/m1/s1
InChIKeyLBGPTWJOKHSTLS-HSALFYBXSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorothiolan-2-one
CID 13009258
4-[Tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol
CID 138975569
TBDPS(-3)[TBDPS(-5)]4-thio-D-Araf2F
CID 89975654
3-[Tert-butyl(diphenyl)silyl]oxy-2-fluorocyclopentan-1-ol
CID 175762170
[(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol
CID 11588825
[(2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]thietan-3-yl]methanol
CID 11610429
tert-butyl-[[(2S)-5-methyl-2,3-dihydrothiophen-2-yl]methoxy]-diphenylsilane
CID 15191432
tert-butyl-[(2R,5S)-5-butylsulfanylhexan-2-yl]oxy-diphenylsilane
CID 134846418
4-[Tert-butyl(diphenyl)silyl]oxy-1-(1,3-dithiolan-2-yl)tetradecan-3-ol
CID 134906130
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol
CID 10572506
[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-hydroxythiolan-2-yl] acetate
CID 10647155
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol
CID 10692836

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol?
The IUPAC name of (3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol (CID 10763004) is (3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol.
What is the SMILES notation for (3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol?
The canonical SMILES for (3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol is CC(C)(C)[Si](OC[C@@H]1SC[C@@H](O)[C@H]1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol?
The InChIKey is LBGPTWJOKHSTLS-HSALFYBXSA-N. The full InChI is InChI=1S/C21H27FO2SSi/c1-21(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-14-19-20(22)18(23)15-25-19/h4-13,18-20,23H,14-15H2,1-3H3/t18-,19+,20-/m1/s1.
What are the key properties of (3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol?
(3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol has a molecular weight of 390.60 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorothiolan-3-ol is sourced from PubChem (CID 10763004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).