trimethyl-[(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-yl]oxysilane

C35H46O6SSi — CID 67637834

IUPACtrimethyl-[(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-yl]oxysilane
SMILESC[C@@H]1O[C@@H](O[C@@H]2[C@H](C)O[C@@H](Sc3ccccc3)C[C@@H]2OCc2ccccc2)C[C@H](OCc2ccccc2)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C35H46O6SSi/c1-25-34(31(37-24-28-17-11-7-12-18-28)22-33(39-25)42-29-19-13-8-14-20-29)40-32-21-30(36-23-27-15-9-6-10-16-27)35(26(2)38-32)41-43(3,4)5/h6-20,25-26,30-35H,21-24H2,1-5H3/t25-,26-,30-,31-,32-,33-,34+,35+/m0/s1
InChIKeyMAGHITKDBJSSAE-YRDZFULSSA-N
MW622.90 g/mol
LogP7.82
Rot. Bonds12

About trimethyl-[(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-yl]oxysilane

trimethyl-[(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-yl]oxysilane (PubChem CID 67637834) has the molecular formula C35H46O6SSi and a molecular weight of 622.90 g/mol. Its IUPAC name is trimethyl-[(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-yl]oxysilane
PubChem CID67637834
Molecular FormulaC35H46O6SSi
Molecular Weight622.90 g/mol
Exact Mass622.28
IUPAC Nametrimethyl-[(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-yl]oxysilane
SMILESC[C@@H]1O[C@@H](O[C@@H]2[C@H](C)O[C@@H](Sc3ccccc3)C[C@@H]2OCc2ccccc2)C[C@H](OCc2ccccc2)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C35H46O6SSi/c1-25-34(31(37-24-28-17-11-7-12-18-28)22-33(39-25)42-29-19-13-8-14-20-29)40-32-21-30(36-23-27-15-9-6-10-16-27)35(26(2)38-32)41-43(3,4)5/h6-20,25-26,30-35H,21-24H2,1-5H3/t25-,26-,30-,31-,32-,33-,34+,35+/m0/s1
InChIKeyMAGHITKDBJSSAE-YRDZFULSSA-N
XLogP7.82
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.90
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-yl]oxysilane?
The IUPAC name of trimethyl-[(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-yl]oxysilane (CID 67637834) is trimethyl-[(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-yl]oxysilane.
What is the SMILES notation for trimethyl-[(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-yl]oxysilane?
The canonical SMILES for trimethyl-[(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-yl]oxysilane is C[C@@H]1O[C@@H](O[C@@H]2[C@H](C)O[C@@H](Sc3ccccc3)C[C@@H]2OCc2ccccc2)C[C@H](OCc2ccccc2)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-yl]oxysilane?
The InChIKey is MAGHITKDBJSSAE-YRDZFULSSA-N. The full InChI is InChI=1S/C35H46O6SSi/c1-25-34(31(37-24-28-17-11-7-12-18-28)22-33(39-25)42-29-19-13-8-14-20-29)40-32-21-30(36-23-27-15-9-6-10-16-27)35(26(2)38-32)41-43(3,4)5/h6-20,25-26,30-35H,21-24H2,1-5H3/t25-,26-,30-,31-,32-,33-,34+,35+/m0/s1.
What are the key properties of trimethyl-[(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-yl]oxysilane?
trimethyl-[(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-yl]oxysilane has a molecular weight of 622.90 g/mol, XLogP of 7.82, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2S,3R,4S,6S)-2-methyl-6-[(2S,3R,4S,6S)-2-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-3-yl]oxy-4-phenylmethoxyoxan-3-yl]oxysilane is sourced from PubChem (CID 67637834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).