[2-[4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane

C64H92O10SSi3 — CID 134998368

IUPAC[2-[4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C(COCc2ccccc2)OC(OC2C(COCc3ccccc3)OC(Sc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C64H92O10SSi3/c1-62(2,3)76(10,11)72-55-53(46-66-42-48-33-23-17-24-34-48)69-60(58(74-78(14,15)64(7,8)9)57(55)73-77(12,13)63(4,5)6)71-54-52(45-65-41-47-31-21-16-22-32-47)70-61(75-51-39-29-20-30-40-51)59(68-44-50-37-27-19-28-38-50)56(54)67-43-49-35-25-18-26-36-49/h16-40,52-61H,41-46H2,1-15H3
InChIKeyXQZAIGFQRCLYKF-UHFFFAOYSA-N
MW1137.75 g/mol
LogP15.39
Rot. Bonds24

About [2-[4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane

[2-[4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134998368) has the molecular formula C64H92O10SSi3 and a molecular weight of 1137.75 g/mol. Its IUPAC name is [2-[4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-[4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134998368
Molecular FormulaC64H92O10SSi3
Molecular Weight1137.75 g/mol
Exact Mass1136.57
IUPAC Name[2-[4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C(COCc2ccccc2)OC(OC2C(COCc3ccccc3)OC(Sc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C64H92O10SSi3/c1-62(2,3)76(10,11)72-55-53(46-66-42-48-33-23-17-24-34-48)69-60(58(74-78(14,15)64(7,8)9)57(55)73-77(12,13)63(4,5)6)71-54-52(45-65-41-47-31-21-16-22-32-47)70-61(75-51-39-29-20-30-40-51)59(68-44-50-37-27-19-28-38-50)56(54)67-43-49-35-25-18-26-36-49/h16-40,52-61H,41-46H2,1-15H3
InChIKeyXQZAIGFQRCLYKF-UHFFFAOYSA-N
XLogP15.39
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001137.75
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

beta-D-Glucopyranoside, phenyl 2,3,4,6-tetrakis-O-(phenylmethyl)-1-thio-
CID 11104158
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CID 10875084
Alpha-d-mannopyranoside, phenyl 2,3,4,6-tetrakis-o-(phenylmethyl)-1-thio-
CID 563133
(2R,3S,4S,5R,6S)-3,4,5-Tris(benzyloxy)-2-((benzyloxy)methyl)-6-(phenylthio)tetrahydro-2H-pyran
CID 11104159
Trimethylsilyl-2,3,4,6-tetra-O-benzyl-b-D-glucopyranoside
CID 12897502
2,3,4,6-tetra-O-benzylgalactopyranosyl phenyl sulfoxide
CID 3081659
Phenyl bzac4Glu
CID 16131344
(2R,3S,4S,5R,6S)-3,4,5-tris(Benzyloxy)-2-((benzyloxy)methyl)-6-(p-tolylthio)tetrahydro-2H-pyran
CID 11050551
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
Phenyl 2-O-Acetyl-3,4,6-tri-O-benzyl-1-thio-b-D-galactopyranoside
CID 14444925
phenyl 2,3,4,6-tetra-O-benzyl-1-thio-d-mannopyranoside
CID 21097687

Frequently Asked Questions

What is the IUPAC name of [2-[4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [2-[4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 134998368) is [2-[4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-[4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [2-[4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1C(COCc2ccccc2)OC(OC2C(COCc3ccccc3)OC(Sc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [2-[4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is XQZAIGFQRCLYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H92O10SSi3/c1-62(2,3)76(10,11)72-55-53(46-66-42-48-33-23-17-24-34-48)69-60(58(74-78(14,15)64(7,8)9)57(55)73-77(12,13)63(4,5)6)71-54-52(45-65-41-47-31-21-16-22-32-47)70-61(75-51-39-29-20-30-40-51)59(68-44-50-37-27-19-28-38-50)56(54)67-43-49-35-25-18-26-36-49/h16-40,52-61H,41-46H2,1-15H3.
What are the key properties of [2-[4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane?
[2-[4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 1137.75 g/mol, XLogP of 15.39, 24 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-yl]oxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(phenylmethoxymethyl)oxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134998368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).