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

C29H34O4SeSi — CID 10792833

IUPAC[(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate
SMILESCC(=O)OC1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1[Se]c1ccccc1
InChIInChI=1S/C29H34O4SeSi/c1-22(30)32-28-27(34-24-14-8-5-9-15-24)20-23(33-28)21-31-35(29(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23,27-28H,20-21H2,1-4H3/t23-,27+,28?/m1/s1
InChIKeyINYRCMCFNCZUJP-OYHIBXGMSA-N
MW553.63 g/mol
LogP4.06
Rot. Bonds8

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

[(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate (PubChem CID 10792833) has the molecular formula C29H34O4SeSi and a molecular weight of 553.63 g/mol. Its IUPAC name is [(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate.

Molecular Properties

Compound Name[(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate
PubChem CID10792833
Molecular FormulaC29H34O4SeSi
Molecular Weight553.63 g/mol
Exact Mass554.14
IUPAC Name[(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate
SMILESCC(=O)OC1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1[Se]c1ccccc1
InChIInChI=1S/C29H34O4SeSi/c1-22(30)32-28-27(34-24-14-8-5-9-15-24)20-23(33-28)21-31-35(29(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23,27-28H,20-21H2,1-4H3/t23-,27+,28?/m1/s1
InChIKeyINYRCMCFNCZUJP-OYHIBXGMSA-N
XLogP4.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.63
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(dimethylamino)oxolan-2-yl] acetate
CID 10718012
[(2R,3R,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-3-yl] acetate
CID 11421579
[(3R,4R,5S)-2-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethynyloxolan-3-yl] acetate
CID 140772716
[(2S,3R,5R)-4-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58592657
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylselanyloxolan-3-ol
CID 10896506
[(2S,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodo-4,5-bis(phenylmethoxy)oxan-2-yl] acetate
CID 101363384
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 101223113
(2R,3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluorooxolan-2-ol
CID 90339346
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
[(2R,3R,4S,5R)-4-acetyloxy-5-acetylsulfanyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-yl] acetate
CID 91077201
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-amino-6-[tert-butyl(diphenyl)silyl]oxyoxan-2-yl]methyl acetate
CID 50937055
[(3S,4R,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dihydroxyoxan-3-yl] acetate
CID 134931192

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate?
The IUPAC name of [(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate (CID 10792833) is [(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate.
What is the SMILES notation for [(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate?
The canonical SMILES for [(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate is CC(=O)OC1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1[Se]c1ccccc1.
What is the InChIKey of [(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate?
The InChIKey is INYRCMCFNCZUJP-OYHIBXGMSA-N. The full InChI is InChI=1S/C29H34O4SeSi/c1-22(30)32-28-27(34-24-14-8-5-9-15-24)20-23(33-28)21-31-35(29(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23,27-28H,20-21H2,1-4H3/t23-,27+,28?/m1/s1.
What are the key properties of [(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate?
[(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate has a molecular weight of 553.63 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylselanyloxolan-2-yl] acetate is sourced from PubChem (CID 10792833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).