(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol

C24H33FO4Si — CID 68979583

IUPAC(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol
SMILESCOC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(C)(O)[C@@]1(C)F
InChIInChI=1S/C24H33FO4Si/c1-22(2,3)30(18-13-9-7-10-14-18,19-15-11-8-12-16-19)28-17-20-24(5,26)23(4,25)21(27-6)29-20/h7-16,20-21,26H,17H2,1-6H3/t20-,21?,23+,24?/m1/s1
InChIKeyOTNUJDFIWLEBTQ-HMZZPXPISA-N
MW432.61 g/mol
LogP3.41
Rot. Bonds6

About (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol

(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol (PubChem CID 68979583) has the molecular formula C24H33FO4Si and a molecular weight of 432.61 g/mol. Its IUPAC name is (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol.

Molecular Properties

Compound Name(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol
PubChem CID68979583
Molecular FormulaC24H33FO4Si
Molecular Weight432.61 g/mol
Exact Mass432.21
IUPAC Name(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol
SMILESCOC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(C)(O)[C@@]1(C)F
InChIInChI=1S/C24H33FO4Si/c1-22(2,3)30(18-13-9-7-10-14-18,19-15-11-8-12-16-19)28-17-20-24(5,26)23(4,25)21(27-6)29-20/h7-16,20-21,26H,17H2,1-6H3/t20-,21?,23+,24?/m1/s1
InChIKeyOTNUJDFIWLEBTQ-HMZZPXPISA-N
XLogP3.41
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 53.41
H-Bond Donors ≤ 51
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 (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol?
The IUPAC name of (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol (CID 68979583) is (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol.
What is the SMILES notation for (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol?
The canonical SMILES for (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol is COC1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(C)(O)[C@@]1(C)F.
What is the InChIKey of (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol?
The InChIKey is OTNUJDFIWLEBTQ-HMZZPXPISA-N. The full InChI is InChI=1S/C24H33FO4Si/c1-22(2,3)30(18-13-9-7-10-14-18,19-15-11-8-12-16-19)28-17-20-24(5,26)23(4,25)21(27-6)29-20/h7-16,20-21,26H,17H2,1-6H3/t20-,21?,23+,24?/m1/s1.
What are the key properties of (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol?
(2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol has a molecular weight of 432.61 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-5-methoxy-3,4-dimethyloxolan-3-ol is sourced from PubChem (CID 68979583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).