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

C27H32O3SeSi — CID 10896506

IUPAC(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol
SMILESCC(C)(C)[Si](OC[C@H]1OC([Se]c2ccccc2)C[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O3SeSi/c1-27(2,3)32(22-15-9-5-10-16-22,23-17-11-6-12-18-23)29-20-25-24(28)19-26(30-25)31-21-13-7-4-8-14-21/h4-18,24-26,28H,19-20H2,1-3H3/t24-,25+,26?/m0/s1
InChIKeySFYLRRUKNNULTG-LHJLODMPSA-N
MW511.60 g/mol
LogP3.07
Rot. Bonds7

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

(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol (PubChem CID 10896506) has the molecular formula C27H32O3SeSi and a molecular weight of 511.60 g/mol. Its IUPAC name is (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol
PubChem CID10896506
Molecular FormulaC27H32O3SeSi
Molecular Weight511.60 g/mol
Exact Mass512.13
IUPAC Name(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol
SMILESCC(C)(C)[Si](OC[C@H]1OC([Se]c2ccccc2)C[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O3SeSi/c1-27(2,3)32(22-15-9-5-10-16-22,23-17-11-6-12-18-23)29-20-25-24(28)19-26(30-25)31-21-13-7-4-8-14-21/h4-18,24-26,28H,19-20H2,1-3H3/t24-,25+,26?/m0/s1
InChIKeySFYLRRUKNNULTG-LHJLODMPSA-N
XLogP3.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.60
LogP ≤ 53.07
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

(2R,3R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2-hydroxypropan-2-yloxy)oxolan-3-ol
CID 144948924
(1R,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 10571070
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 101017191
(1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol
CID 11452775
[(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate
CID 10792833
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxyoxane-3,4-diol
CID 11683418
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 101223113
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 3319542
(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 11059112
(2S,3R,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 124925214

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol?
The IUPAC name of (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol (CID 10896506) is (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol.
What is the SMILES notation for (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol?
The canonical SMILES for (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol is CC(C)(C)[Si](OC[C@H]1OC([Se]c2ccccc2)C[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol?
The InChIKey is SFYLRRUKNNULTG-LHJLODMPSA-N. The full InChI is InChI=1S/C27H32O3SeSi/c1-27(2,3)32(22-15-9-5-10-16-22,23-17-11-6-12-18-23)29-20-25-24(28)19-26(30-25)31-21-13-7-4-8-14-21/h4-18,24-26,28H,19-20H2,1-3H3/t24-,25+,26?/m0/s1.
What are the key properties of (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol?
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol has a molecular weight of 511.60 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol is sourced from PubChem (CID 10896506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).