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

C21H28O5Si — CID 11784059

IUPAC(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3,4-triol
SMILESCC(C)(C)[Si](OC[C@@H]1OC(O)[C@H](O)[C@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O5Si/c1-21(2,3)27(15-10-6-4-7-11-15,16-12-8-5-9-13-16)25-14-17-18(22)19(23)20(24)26-17/h4-13,17-20,22-24H,14H2,1-3H3/t17-,18-,19+,20?/m0/s1
InChIKeyUBTTVAWQIDVDNL-GURQWTFNSA-N
MW388.54 g/mol
LogP1.00
Rot. Bonds5

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

(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3,4-triol (PubChem CID 11784059) has the molecular formula C21H28O5Si and a molecular weight of 388.54 g/mol. Its IUPAC name is (3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3,4-triol.

Molecular Properties

Compound Name(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3,4-triol
PubChem CID11784059
Molecular FormulaC21H28O5Si
Molecular Weight388.54 g/mol
Exact Mass388.17
IUPAC Name(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3,4-triol
SMILESCC(C)(C)[Si](OC[C@@H]1OC(O)[C@H](O)[C@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28O5Si/c1-21(2,3)27(15-10-6-4-7-11-15,16-12-8-5-9-13-16)25-14-17-18(22)19(23)20(24)26-17/h4-13,17-20,22-24H,14H2,1-3H3/t17-,18-,19+,20?/m0/s1
InChIKeyUBTTVAWQIDVDNL-GURQWTFNSA-N
XLogP1.00
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3,4-triol?
The IUPAC name of (3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3,4-triol (CID 11784059) is (3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3,4-triol.
What is the SMILES notation for (3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3,4-triol?
The canonical SMILES for (3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3,4-triol is CC(C)(C)[Si](OC[C@@H]1OC(O)[C@H](O)[C@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3,4-triol?
The InChIKey is UBTTVAWQIDVDNL-GURQWTFNSA-N. The full InChI is InChI=1S/C21H28O5Si/c1-21(2,3)27(15-10-6-4-7-11-15,16-12-8-5-9-13-16)25-14-17-18(22)19(23)20(24)26-17/h4-13,17-20,22-24H,14H2,1-3H3/t17-,18-,19+,20?/m0/s1.
What are the key properties of (3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3,4-triol?
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3,4-triol has a molecular weight of 388.54 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2,3,4-triol is sourced from PubChem (CID 11784059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).