(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol

C28H34O3SSi — CID 10528669

IUPAC(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol
SMILESCC(C)(C)[Si](OC[C@H]1SC[C@@H](O)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O3SSi/c1-28(2,3)33(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-20-26-27(25(29)21-32-26)30-19-22-13-7-4-8-14-22/h4-18,25-27,29H,19-21H2,1-3H3/t25-,26-,27+/m1/s1
InChIKeyUROOASPFQXQQKZ-PFBJBMPXSA-N
MW478.73 g/mol
LogP4.62
Rot. Bonds8

About (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol

(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol (PubChem CID 10528669) has the molecular formula C28H34O3SSi and a molecular weight of 478.73 g/mol. Its IUPAC name is (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol.

Molecular Properties

Compound Name(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol
PubChem CID10528669
Molecular FormulaC28H34O3SSi
Molecular Weight478.73 g/mol
Exact Mass478.20
IUPAC Name(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol
SMILESCC(C)(C)[Si](OC[C@H]1SC[C@@H](O)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O3SSi/c1-28(2,3)33(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-20-26-27(25(29)21-32-26)30-19-22-13-7-4-8-14-22/h4-18,25-27,29H,19-21H2,1-3H3/t25-,26-,27+/m1/s1
InChIKeyUROOASPFQXQQKZ-PFBJBMPXSA-N
XLogP4.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.73
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2,3,4-tri-O-benzyl-b-L-thiofucopyranoside
CID 10896107
[(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-fluoro-4-phenylmethoxythiolan-2-yl] acetate
CID 10554417
(2S,3R,4R,5S,6R)-3,4,5-Tris(benzyloxy)-2-methyl-6-(methylthio)tetrahydro-2H-pyran
CID 11081093
2,3,5-tri-O-benzyl-1,4-dideoxy-1,4-epithio-D-arabinitol
CID 10645810
1-(1,3-Dithiolan-2-yl)-4-trityloxybutane-2,3-diol
CID 265955
1-Heptylsulfanyl-3-trityloxy-propan-2-ol
CID 390882
(2S,3R,4S,5R,6R)-2-ethylsulfanyl-3-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 69115861
D-ribo-Hexose, 3-deoxy-6-O-[(1,1-dimethylethyl)diphenylsilyl]-5-C-methyl-2-O-methyl-4-O-(phenylmethyl)-, cyclic 1,2-ethanediyl dithioacetal
CID 165366570
tert-butyl-[[(2R,3S,4S)-4-fluoro-3-phenylmethoxythiolan-2-yl]methoxy]-diphenylsilane
CID 10767090
(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-difluoro-4-phenylmethoxybutan-2-ol
CID 177853099
(E,5R,6R)-5-[tert-butyl(diphenyl)silyl]oxy-8-phenylmethoxyoct-2-ene-1,6-diol
CID 10553560
(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-bis(phenylmethoxy)thian-3-ol
CID 134927398

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol?
The IUPAC name of (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol (CID 10528669) is (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol.
What is the SMILES notation for (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol?
The canonical SMILES for (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol is CC(C)(C)[Si](OC[C@H]1SC[C@@H](O)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol?
The InChIKey is UROOASPFQXQQKZ-PFBJBMPXSA-N. The full InChI is InChI=1S/C28H34O3SSi/c1-28(2,3)33(23-15-9-5-10-16-23,24-17-11-6-12-18-24)31-20-26-27(25(29)21-32-26)30-19-22-13-7-4-8-14-22/h4-18,25-27,29H,19-21H2,1-3H3/t25-,26-,27+/m1/s1.
What are the key properties of (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol?
(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol has a molecular weight of 478.73 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol is sourced from PubChem (CID 10528669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).