triethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane

C23H42O4SSi2 — CID 134946760

IUPACtriethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@H]1[C@H](C)O[C@@H](Sc2ccccc2)[C@H](OC)[C@]1(C)O[Si](C)(C)C
InChIInChI=1S/C23H42O4SSi2/c1-10-30(11-2,12-3)26-20-18(4)25-22(28-19-16-14-13-15-17-19)21(24-6)23(20,5)27-29(7,8)9/h13-18,20-22H,10-12H2,1-9H3/t18-,20-,21-,22-,23+/m0/s1
InChIKeyXJRLKWGATLUHBN-VPSDZCSPSA-N
MW470.82 g/mol
LogP6.54
Rot. Bonds10

About triethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane

triethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane (PubChem CID 134946760) has the molecular formula C23H42O4SSi2 and a molecular weight of 470.82 g/mol. Its IUPAC name is triethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane
PubChem CID134946760
Molecular FormulaC23H42O4SSi2
Molecular Weight470.82 g/mol
Exact Mass470.23
IUPAC Nametriethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@H]1[C@H](C)O[C@@H](Sc2ccccc2)[C@H](OC)[C@]1(C)O[Si](C)(C)C
InChIInChI=1S/C23H42O4SSi2/c1-10-30(11-2,12-3)26-20-18(4)25-22(28-19-16-14-13-15-17-19)21(24-6)23(20,5)27-29(7,8)9/h13-18,20-22H,10-12H2,1-9H3/t18-,20-,21-,22-,23+/m0/s1
InChIKeyXJRLKWGATLUHBN-VPSDZCSPSA-N
XLogP6.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.82
LogP ≤ 56.54
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

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[(3aR,4S,6S,7S,7aS)-2,2,6-trimethyl-4-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 11304434
[(4S)-2,2-dimethyl-6-phenylsulfanyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
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TBDMS(-3)[TBDMS(-5)]2-deoxy-D-eryPenf-SPh
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TBDMS(-2)[TBDMS(-3)][TBDMS(-4)]Xyl(b)-SPh
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(2R,3S,4S,5S,6R)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-(phenylthio)tetrahydro-2H-pyran-3,4,5-triol
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tert-butyl-[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane
CID 101860154
[(4aR,8R,8aR)-2,2-ditert-butyl-6-phenylsulfanyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 102212916
[(3S,4R,5S,6S)-2-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102281305

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane?
The IUPAC name of triethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane (CID 134946760) is triethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane?
The canonical SMILES for triethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane is CC[Si](CC)(CC)O[C@H]1[C@H](C)O[C@@H](Sc2ccccc2)[C@H](OC)[C@]1(C)O[Si](C)(C)C.
What is the InChIKey of triethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane?
The InChIKey is XJRLKWGATLUHBN-VPSDZCSPSA-N. The full InChI is InChI=1S/C23H42O4SSi2/c1-10-30(11-2,12-3)26-20-18(4)25-22(28-19-16-14-13-15-17-19)21(24-6)23(20,5)27-29(7,8)9/h13-18,20-22H,10-12H2,1-9H3/t18-,20-,21-,22-,23+/m0/s1.
What are the key properties of triethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane?
triethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane has a molecular weight of 470.82 g/mol, XLogP of 6.54, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2S,3S,4S,5R,6S)-5-methoxy-2,4-dimethyl-6-phenylsulfanyl-4-trimethylsilyloxyoxan-3-yl]oxysilane is sourced from PubChem (CID 134946760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).