[(2S,5S)-5-[(1S)-3-(benzenesulfonyl)-1-phenylmethoxypropyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane

C37H44O5SSi — CID 11135926

IUPAC[(2S,5S)-5-[(1S)-3-(benzenesulfonyl)-1-phenylmethoxypropyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CC[C@@H]([C@H](CCS(=O)(=O)c2ccccc2)OCc2ccccc2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H44O5SSi/c1-37(2,3)44(33-20-12-6-13-21-33,34-22-14-7-15-23-34)41-29-31-24-25-36(42-31)35(40-28-30-16-8-4-9-17-30)26-27-43(38,39)32-18-10-5-11-19-32/h4-23,31,35-36H,24-29H2,1-3H3/t31-,35-,36-/m0/s1
InChIKeyBCSFXQMMHDVWQT-AENKNVQRSA-N
MW628.91 g/mol
LogP6.56
Rot. Bonds13

About [(2S,5S)-5-[(1S)-3-(benzenesulfonyl)-1-phenylmethoxypropyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane

[(2S,5S)-5-[(1S)-3-(benzenesulfonyl)-1-phenylmethoxypropyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 11135926) has the molecular formula C37H44O5SSi and a molecular weight of 628.91 g/mol. Its IUPAC name is [(2S,5S)-5-[(1S)-3-(benzenesulfonyl)-1-phenylmethoxypropyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S,5S)-5-[(1S)-3-(benzenesulfonyl)-1-phenylmethoxypropyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID11135926
Molecular FormulaC37H44O5SSi
Molecular Weight628.91 g/mol
Exact Mass628.27
IUPAC Name[(2S,5S)-5-[(1S)-3-(benzenesulfonyl)-1-phenylmethoxypropyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CC[C@@H]([C@H](CCS(=O)(=O)c2ccccc2)OCc2ccccc2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H44O5SSi/c1-37(2,3)44(33-20-12-6-13-21-33,34-22-14-7-15-23-34)41-29-31-24-25-36(42-31)35(40-28-30-16-8-4-9-17-30)26-27-43(38,39)32-18-10-5-11-19-32/h4-23,31,35-36H,24-29H2,1-3H3/t31-,35-,36-/m0/s1
InChIKeyBCSFXQMMHDVWQT-AENKNVQRSA-N
XLogP6.56
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.91
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,6-tetra-O-benzylgalactopyranosyl phenyl sulfoxide
CID 3081659
tert-butyldiphenyl(((2R,3R,4S,5R,6S)-3,4,5-tris(benzyloxy)-6-(phenylthio)tetrahydro-2H-pyran-2-yl)methoxy)silane
CID 11505988
2-(Benzenesulfinyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 14017982
[(1R)-1-[(2S,3R,4S)-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-phenylmethoxyethyl] 4-methylbenzenesulfonate
CID 134930472
(2R,3R,4S,5R)-3,4,5-tris(benzyloxy)-2-((benzyloxy)methyl)-6-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran
CID 156044833
(3R,4S,5R,6R)-2-(allylsulfonyl)-3,4,5-tris(benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2H-pyran
CID 156044922
(2R,3S,4S,5R)-3,4,5-tris(benzyloxy)-2-((benzyloxy)methyl)-6-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran
CID 156044948
tert-butyldimethyl(((2R,3R,4S,5R)-3,4,5-tris(benzyloxy)-6-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran-2-yl)methoxy)silane
CID 162786686
(5R)-3-fluoro-2-(4-methylphenyl)sulfonyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 173979836
(3R,4S,5R,6R)-2-benzylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10886934
[(2R,3S,4S)-6-(benzenesulfonyl)-3-methyl-2-(4-phenylmethoxybutyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 10951578
(2R,3R,4S,5R,6R)-2-benzylsulfonyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11061402

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-[(1S)-3-(benzenesulfonyl)-1-phenylmethoxypropyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2S,5S)-5-[(1S)-3-(benzenesulfonyl)-1-phenylmethoxypropyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane (CID 11135926) is [(2S,5S)-5-[(1S)-3-(benzenesulfonyl)-1-phenylmethoxypropyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S,5S)-5-[(1S)-3-(benzenesulfonyl)-1-phenylmethoxypropyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S,5S)-5-[(1S)-3-(benzenesulfonyl)-1-phenylmethoxypropyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1CC[C@@H]([C@H](CCS(=O)(=O)c2ccccc2)OCc2ccccc2)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,5S)-5-[(1S)-3-(benzenesulfonyl)-1-phenylmethoxypropyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is BCSFXQMMHDVWQT-AENKNVQRSA-N. The full InChI is InChI=1S/C37H44O5SSi/c1-37(2,3)44(33-20-12-6-13-21-33,34-22-14-7-15-23-34)41-29-31-24-25-36(42-31)35(40-28-30-16-8-4-9-17-30)26-27-43(38,39)32-18-10-5-11-19-32/h4-23,31,35-36H,24-29H2,1-3H3/t31-,35-,36-/m0/s1.
What are the key properties of [(2S,5S)-5-[(1S)-3-(benzenesulfonyl)-1-phenylmethoxypropyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2S,5S)-5-[(1S)-3-(benzenesulfonyl)-1-phenylmethoxypropyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 628.91 g/mol, XLogP of 6.56, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-[(1S)-3-(benzenesulfonyl)-1-phenylmethoxypropyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 11135926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).