[(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane

C47H70O9SSi2 — CID 71536024

IUPAC[(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1CC1(S(=O)(=O)c2ccccc2)OC1C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C47H70O9SSi2/c1-9-59(10-2,11-3)56-42-30-40(52-34-37-24-17-13-18-25-37)44(35-50-33-36-22-15-12-16-23-36)53-43(42)32-47(57(48,49)38-26-19-14-20-27-38)45(54-47)31-41-39(28-21-29-51-41)55-58(7,8)46(4,5)6/h12-20,22-27,39-45H,9-11,21,28-35H2,1-8H3/t39-,40-,41+,42+,43-,44+,45?,47?/m0/s1
InChIKeyWBQYEWTZALVCQC-JISSOWSSSA-N
MW867.31 g/mol
LogP10.26
Rot. Bonds20

About [(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane

[(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane (PubChem CID 71536024) has the molecular formula C47H70O9SSi2 and a molecular weight of 867.31 g/mol. Its IUPAC name is [(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane
PubChem CID71536024
Molecular FormulaC47H70O9SSi2
Molecular Weight867.31 g/mol
Exact Mass866.43
IUPAC Name[(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1CC1(S(=O)(=O)c2ccccc2)OC1C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C47H70O9SSi2/c1-9-59(10-2,11-3)56-42-30-40(52-34-37-24-17-13-18-25-37)44(35-50-33-36-22-15-12-16-23-36)53-43(42)32-47(57(48,49)38-26-19-14-20-27-38)45(54-47)31-41-39(28-21-29-51-41)55-58(7,8)46(4,5)6/h12-20,22-27,39-45H,9-11,21,28-35H2,1-8H3/t39-,40-,41+,42+,43-,44+,45?,47?/m0/s1
InChIKeyWBQYEWTZALVCQC-JISSOWSSSA-N
XLogP10.26
TPSA102.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.31
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane with MolForge

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Related Compounds

tert-butyldiphenyl(((2R,3R,4S,5R,6S)-3,4,5-tris(benzyloxy)-6-(phenylthio)tetrahydro-2H-pyran-2-yl)methoxy)silane
CID 11505988
tert-butyldimethyl(((2R,3R,4S,5R)-3,4,5-tris(benzyloxy)-6-((2-methylallyl)sulfonyl)tetrahydro-2H-pyran-2-yl)methoxy)silane
CID 162786686
[(2R,3S,4S)-6-(benzenesulfonyl)-3-methyl-2-(4-phenylmethoxybutyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 10951578
(2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11273847
[(2S,3R)-3-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11735083
[(2R,3R)-2-(benzenesulfonyl)-3-(phenylmethoxymethyl)oxiran-2-yl]-trimethylsilane
CID 14385187
t-Butyldimethylsilyl 3-O-allyloxycarbonyl-4,6-O-benzylidene-2-O-[(S)-2-(phenylthiomethyl) benzyl]-beta-D-glucopyranose
CID 45273853
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
2-[(2S,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane
CID 134844652
2-[(2R,3S,4R,5R)-3-(benzenesulfonylmethyl)-4-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]ethoxy-tert-butyl-diphenylsilane
CID 134844712
[(2R,3S,4S,5R,6R)-2-(benzenesulfonyl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-ethenyl-dimethylsilane
CID 134882903
O-[(4S,5S)-3-(benzenesulfonyl)-1-[(3S,4R,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]-4-methyl-5-(phenylmethoxymethoxy)hexan-2-yl] methylsulfanylmethanethioate
CID 134886657

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane?
The IUPAC name of [(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane (CID 71536024) is [(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane.
What is the SMILES notation for [(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane?
The canonical SMILES for [(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@@H]1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1CC1(S(=O)(=O)c2ccccc2)OC1C[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane?
The InChIKey is WBQYEWTZALVCQC-JISSOWSSSA-N. The full InChI is InChI=1S/C47H70O9SSi2/c1-9-59(10-2,11-3)56-42-30-40(52-34-37-24-17-13-18-25-37)44(35-50-33-36-22-15-12-16-23-36)53-43(42)32-47(57(48,49)38-26-19-14-20-27-38)45(54-47)31-41-39(28-21-29-51-41)55-58(7,8)46(4,5)6/h12-20,22-27,39-45H,9-11,21,28-35H2,1-8H3/t39-,40-,41+,42+,43-,44+,45?,47?/m0/s1.
What are the key properties of [(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane?
[(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane has a molecular weight of 867.31 g/mol, XLogP of 10.26, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5S,6R)-2-[[2-(benzenesulfonyl)-3-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]oxiran-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-triethylsilane is sourced from PubChem (CID 71536024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).