[(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane

C29H36O5SSi — CID 10973391

IUPAC[(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCOC1C[C@H](S(=O)(=O)c2ccccc2)C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C29H36O5SSi/c1-29(2,3)36(26-16-10-6-11-17-26,27-18-12-7-13-19-27)33-22-23-20-25(21-28(32-4)34-23)35(30,31)24-14-8-5-9-15-24/h5-19,23,25,28H,20-22H2,1-4H3/t23-,25+,28?/m0/s1
InChIKeyPVRRVZLDIUPKNB-ZZRPCJPRSA-N
MW524.76 g/mol
LogP4.56
Rot. Bonds8

About [(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane

[(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 10973391) has the molecular formula C29H36O5SSi and a molecular weight of 524.76 g/mol. Its IUPAC name is [(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID10973391
Molecular FormulaC29H36O5SSi
Molecular Weight524.76 g/mol
Exact Mass524.21
IUPAC Name[(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCOC1C[C@H](S(=O)(=O)c2ccccc2)C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C29H36O5SSi/c1-29(2,3)36(26-16-10-6-11-17-26,27-18-12-7-13-19-27)33-22-23-20-25(21-28(32-4)34-23)35(30,31)24-14-8-5-9-15-24/h5-19,23,25,28H,20-22H2,1-4H3/t23-,25+,28?/m0/s1
InChIKeyPVRRVZLDIUPKNB-ZZRPCJPRSA-N
XLogP4.56
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.76
LogP ≤ 54.56
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

[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11762183
(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3-carbonitrile
CID 70226546
[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate
CID 59157894
2-[(2R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-4-yl]acetaldehyde
CID 134945356
(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
(2S,3aS,6aS)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 11188665
[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methyl 4-methylbenzenesulfonate
CID 23583995
[(2S,6S)-6-[(2R)-1-(benzenesulfonyl)butan-2-yl]oxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 101038654
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
[(2R,3R,6S)-2-[(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxyoxan-3-yl] methanesulfonate
CID 10325861
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane (CID 10973391) is [(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane is COC1C[C@H](S(=O)(=O)c2ccccc2)C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of [(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is PVRRVZLDIUPKNB-ZZRPCJPRSA-N. The full InChI is InChI=1S/C29H36O5SSi/c1-29(2,3)36(26-16-10-6-11-17-26,27-18-12-7-13-19-27)33-22-23-20-25(21-28(32-4)34-23)35(30,31)24-14-8-5-9-15-24/h5-19,23,25,28H,20-22H2,1-4H3/t23-,25+,28?/m0/s1.
What are the key properties of [(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 524.76 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-(benzenesulfonyl)-6-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 10973391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).