tert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane

C58H64O5SSi2 — CID 164668923

IUPACtert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](OC1C(OCc2ccccc2)[C@H](Sc2ccccc2)OC(COCc2ccccc2)[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C58H64O5SSi2/c1-57(2,3)65(48-34-20-10-21-35-48,49-36-22-11-23-37-49)62-53-52(44-59-42-45-28-14-7-15-29-45)61-56(64-47-32-18-9-19-33-47)55(60-43-46-30-16-8-17-31-46)54(53)63-66(58(4,5)6,50-38-24-12-25-39-50)51-40-26-13-27-41-51/h7-41,52-56H,42-44H2,1-6H3/t52?,53-,54?,55?,56+/m1/s1
InChIKeyITSMYYDNUBSSTF-QOVSBJHKSA-N
MW929.38 g/mol
LogP11.20
Rot. Bonds17

About tert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane

tert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane (PubChem CID 164668923) has the molecular formula C58H64O5SSi2 and a molecular weight of 929.38 g/mol. Its IUPAC name is tert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane
PubChem CID164668923
Molecular FormulaC58H64O5SSi2
Molecular Weight929.38 g/mol
Exact Mass928.40
IUPAC Nametert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](OC1C(OCc2ccccc2)[C@H](Sc2ccccc2)OC(COCc2ccccc2)[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C58H64O5SSi2/c1-57(2,3)65(48-34-20-10-21-35-48,49-36-22-11-23-37-49)62-53-52(44-59-42-45-28-14-7-15-29-45)61-56(64-47-32-18-9-19-33-47)55(60-43-46-30-16-8-17-31-46)54(53)63-66(58(4,5)6,50-38-24-12-25-39-50)51-40-26-13-27-41-51/h7-41,52-56H,42-44H2,1-6H3/t52?,53-,54?,55?,56+/m1/s1
InChIKeyITSMYYDNUBSSTF-QOVSBJHKSA-N
XLogP11.20
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.38
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane (CID 164668923) is tert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane is CC(C)(C)[Si](OC1C(OCc2ccccc2)[C@H](Sc2ccccc2)OC(COCc2ccccc2)[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane?
The InChIKey is ITSMYYDNUBSSTF-QOVSBJHKSA-N. The full InChI is InChI=1S/C58H64O5SSi2/c1-57(2,3)65(48-34-20-10-21-35-48,49-36-22-11-23-37-49)62-53-52(44-59-42-45-28-14-7-15-29-45)61-56(64-47-32-18-9-19-33-47)55(60-43-46-30-16-8-17-31-46)54(53)63-66(58(4,5)6,50-38-24-12-25-39-50)51-40-26-13-27-41-51/h7-41,52-56H,42-44H2,1-6H3/t52?,53-,54?,55?,56+/m1/s1.
What are the key properties of tert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane?
tert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane has a molecular weight of 929.38 g/mol, XLogP of 11.20, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,6S)-3-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-yl]oxy-diphenylsilane is sourced from PubChem (CID 164668923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).