(2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol

C22H30O4Si — CID 46854166

IUPAC(2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H]1O
InChIInChI=1S/C22H30O4Si/c1-16-20(23)21(24)19(26-16)15-25-27(22(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19-21,23-24H,15H2,1-4H3/t16-,19+,20-,21+/m0/s1
InChIKeyWIBDCRQFRNJLJK-NASSWSRMSA-N
MW386.56 g/mol
LogP2.07
Rot. Bonds5

About (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol

(2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol (PubChem CID 46854166) has the molecular formula C22H30O4Si and a molecular weight of 386.56 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol
PubChem CID46854166
Molecular FormulaC22H30O4Si
Molecular Weight386.56 g/mol
Exact Mass386.19
IUPAC Name(2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H]1O
InChIInChI=1S/C22H30O4Si/c1-16-20(23)21(24)19(26-16)15-25-27(22(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19-21,23-24H,15H2,1-4H3/t16-,19+,20-,21+/m0/s1
InChIKeyWIBDCRQFRNJLJK-NASSWSRMSA-N
XLogP2.07
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 52.07
H-Bond Donors ≤ 52
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,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol (CID 46854166) is (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol is C[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol?
The InChIKey is WIBDCRQFRNJLJK-NASSWSRMSA-N. The full InChI is InChI=1S/C22H30O4Si/c1-16-20(23)21(24)19(26-16)15-25-27(22(2,3)4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19-21,23-24H,15H2,1-4H3/t16-,19+,20-,21+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol?
(2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol has a molecular weight of 386.56 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxolane-3,4-diol is sourced from PubChem (CID 46854166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).