[(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane

C64H99N3O8Si2 — CID 134833563

IUPAC[(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C64H99N3O8Si2/c1-12-13-14-15-16-17-18-19-20-21-22-35-44-56(74-76(8,9)63(2,3)4)58(75-77(10,11)64(5,6)7)55(66-67-65)49-72-62-61(71-48-54-42-33-26-34-43-54)60(70-47-53-40-31-25-32-41-53)59(69-46-52-38-29-24-30-39-52)57(73-62)50-68-45-51-36-27-23-28-37-51/h23-34,36-43,55-62H,12-22,35,44-50H2,1-11H3/t55-,56+,57?,58-,59-,60?,61?,62-/m0/s1
InChIKeyXLCWTLRAUKJDSC-XQSLPUDCSA-N
MW1094.68 g/mol
LogP17.25
Rot. Bonds36

About [(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane

[(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134833563) has the molecular formula C64H99N3O8Si2 and a molecular weight of 1094.68 g/mol. Its IUPAC name is [(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134833563
Molecular FormulaC64H99N3O8Si2
Molecular Weight1094.68 g/mol
Exact Mass1093.70
IUPAC Name[(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C64H99N3O8Si2/c1-12-13-14-15-16-17-18-19-20-21-22-35-44-56(74-76(8,9)63(2,3)4)58(75-77(10,11)64(5,6)7)55(66-67-65)49-72-62-61(71-48-54-42-33-26-34-43-54)60(70-47-53-40-31-25-32-41-53)59(69-46-52-38-29-24-30-39-52)57(73-62)50-68-45-51-36-27-23-28-37-51/h23-34,36-43,55-62H,12-22,35,44-50H2,1-11H3/t55-,56+,57?,58-,59-,60?,61?,62-/m0/s1
InChIKeyXLCWTLRAUKJDSC-XQSLPUDCSA-N
XLogP17.25
TPSA122.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds36
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001094.68
LogP ≤ 517.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane 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 [(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane (CID 134833563) is [(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane is CCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[C@H]1OC(COCc2ccccc2)[C@H](OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1)N=[N+]=[N-].
What is the InChIKey of [(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is XLCWTLRAUKJDSC-XQSLPUDCSA-N. The full InChI is InChI=1S/C64H99N3O8Si2/c1-12-13-14-15-16-17-18-19-20-21-22-35-44-56(74-76(8,9)63(2,3)4)58(75-77(10,11)64(5,6)7)55(66-67-65)49-72-62-61(71-48-54-42-33-26-34-43-54)60(70-47-53-40-31-25-32-41-53)59(69-46-52-38-29-24-30-39-52)57(73-62)50-68-45-51-36-27-23-28-37-51/h23-34,36-43,55-62H,12-22,35,44-50H2,1-11H3/t55-,56+,57?,58-,59-,60?,61?,62-/m0/s1.
What are the key properties of [(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane?
[(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 1094.68 g/mol, XLogP of 17.25, 36 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoctadecan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134833563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).