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

C21H28O4Si — CID 14061549

IUPAC(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3-diol
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H](O)C(O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O4Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-15-16-14-19(22)20(23)25-16/h4-13,16,19-20,22-23H,14-15H2,1-3H3/t16-,19+,20?/m0/s1
InChIKeyDVWKUCCFYVOACB-VPSRXSMPSA-N
MW372.54 g/mol
LogP2.03
Rot. Bonds5

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

(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3-diol (PubChem CID 14061549) has the molecular formula C21H28O4Si and a molecular weight of 372.54 g/mol. Its IUPAC name is (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3-diol.

Molecular Properties

Compound Name(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3-diol
PubChem CID14061549
Molecular FormulaC21H28O4Si
Molecular Weight372.54 g/mol
Exact Mass372.18
IUPAC Name(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3-diol
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@H](O)C(O)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O4Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-15-16-14-19(22)20(23)25-16/h4-13,16,19-20,22-23H,14-15H2,1-3H3/t16-,19+,20?/m0/s1
InChIKeyDVWKUCCFYVOACB-VPSRXSMPSA-N
XLogP2.03
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 52.03
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 (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3-diol?
The IUPAC name of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3-diol (CID 14061549) is (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3-diol.
What is the SMILES notation for (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3-diol?
The canonical SMILES for (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3-diol is CC(C)(C)[Si](OC[C@@H]1C[C@@H](O)C(O)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3-diol?
The InChIKey is DVWKUCCFYVOACB-VPSRXSMPSA-N. The full InChI is InChI=1S/C21H28O4Si/c1-21(2,3)26(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-15-16-14-19(22)20(23)25-16/h4-13,16,19-20,22-23H,14-15H2,1-3H3/t16-,19+,20?/m0/s1.
What are the key properties of (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3-diol?
(3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3-diol has a molecular weight of 372.54 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3-diol is sourced from PubChem (CID 14061549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).