1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol

C24H34O5SSi — CID 10322135

IUPAC1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@]1(C(O)CCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H34O5SSi/c1-23(2,3)31(4,5)28-18-22-24(29-22,30(26,27)20-14-10-7-11-15-20)21(25)17-16-19-12-8-6-9-13-19/h6-15,21-22,25H,16-18H2,1-5H3/t21?,22-,24-/m1/s1
InChIKeyWSGYTXGHUHFIMT-YUWPFLFCSA-N
MW462.68 g/mol
LogP4.57
Rot. Bonds9

About 1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol

1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol (PubChem CID 10322135) has the molecular formula C24H34O5SSi and a molecular weight of 462.68 g/mol. Its IUPAC name is 1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol
PubChem CID10322135
Molecular FormulaC24H34O5SSi
Molecular Weight462.68 g/mol
Exact Mass462.19
IUPAC Name1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@]1(C(O)CCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H34O5SSi/c1-23(2,3)31(4,5)28-18-22-24(29-22,30(26,27)20-14-10-7-11-15-20)21(25)17-16-19-12-8-6-9-13-19/h6-15,21-22,25H,16-18H2,1-5H3/t21?,22-,24-/m1/s1
InChIKeyWSGYTXGHUHFIMT-YUWPFLFCSA-N
XLogP4.57
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.68
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[(2S,3S)-3-butyl-2-tert-butylsulfonyloxiran-2-yl]-3-phenylpropan-1-ol
CID 10784342
(1R)-1-[(2S,3S)-3-butyl-2-(4-methylphenyl)sulfonyloxiran-2-yl]propan-1-ol
CID 10852607
3-[[1-(Benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol
CID 10894089
[(2R,3R)-3-(benzenesulfonyl)-3-benzyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 14385208
tert-butyl-[[(2S,3R)-2-methyl-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S)-3-triethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methoxy]-diphenylsilane
CID 101267916
(2S)-3-[(2R,3R,4S,5S)-4-(benzenesulfonylmethyl)-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-methoxyoxolan-2-yl]propane-1,2-diol
CID 132528217
tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyl-3-[[(2R,3S,5S,6R)-3,5,6-trimethyl-3-trimethylsilyloxyoxan-2-yl]methyl]oxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane
CID 134955102
tert-butyl-[(2S,3R,5S,6R)-5,6-dimethyl-2-[[(2R,3R)-3-(4-methylphenyl)sulfonyloxiran-2-yl]methyl]oxan-3-yl]oxy-dimethylsilane
CID 134955124
(Z,2S)-4-(benzenesulfonyl)-2-[(2S,3S)-3-(phenylmethoxymethyl)oxiran-2-yl]-4-triethylsilylbut-3-en-1-ol
CID 135012729
(Z,1R)-3-(benzenesulfonyl)-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-[dimethyl(phenyl)silyl]prop-2-en-1-ol
CID 135012774
(Z,2S)-4-(benzenesulfonyl)-2-[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]-4-triethylsilylbut-3-en-1-ol
CID 135039015
[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-phenylmethanol
CID 9980387

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol?
The IUPAC name of 1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol (CID 10322135) is 1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol.
What is the SMILES notation for 1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol?
The canonical SMILES for 1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@]1(C(O)CCc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol?
The InChIKey is WSGYTXGHUHFIMT-YUWPFLFCSA-N. The full InChI is InChI=1S/C24H34O5SSi/c1-23(2,3)31(4,5)28-18-22-24(29-22,30(26,27)20-14-10-7-11-15-20)21(25)17-16-19-12-8-6-9-13-19/h6-15,21-22,25H,16-18H2,1-5H3/t21?,22-,24-/m1/s1.
What are the key properties of 1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol?
1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol has a molecular weight of 462.68 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-3-phenylpropan-1-ol is sourced from PubChem (CID 10322135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).