[(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane

C33H37N3O2Si — CID 101040416

IUPAC[(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H](c1ccccc1)[C@@H](COCc1ccccc1)N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H37N3O2Si/c1-33(2,3)39(29-20-12-6-13-21-29,30-22-14-7-15-23-30)38-25-31(28-18-10-5-11-19-28)32(35-36-34)26-37-24-27-16-8-4-9-17-27/h4-23,31-32H,24-26H2,1-3H3/t31-,32+/m0/s1
InChIKeyQUEPSRRGZPYSJZ-AJQTZOPKSA-N
MW535.76 g/mol
LogP7.24
Rot. Bonds12

About [(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane

[(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane (PubChem CID 101040416) has the molecular formula C33H37N3O2Si and a molecular weight of 535.76 g/mol. Its IUPAC name is [(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane
PubChem CID101040416
Molecular FormulaC33H37N3O2Si
Molecular Weight535.76 g/mol
Exact Mass535.27
IUPAC Name[(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H](c1ccccc1)[C@@H](COCc1ccccc1)N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H37N3O2Si/c1-33(2,3)39(29-20-12-6-13-21-29,30-22-14-7-15-23-30)38-25-31(28-18-10-5-11-19-28)32(35-36-34)26-37-24-27-16-8-4-9-17-27/h4-23,31-32H,24-26H2,1-3H3/t31-,32+/m0/s1
InChIKeyQUEPSRRGZPYSJZ-AJQTZOPKSA-N
XLogP7.24
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.76
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
CID 10247403
(2R,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol
CID 10252065
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-4-phenylmethoxybutan-2-ol
CID 140879334
[(Z,2S,3S,4R,5R)-2-azido-3,4,5-tris(phenylmethoxy)octadec-6-enoxy]-tert-butyl-diphenylsilane
CID 72736803
[(2S,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-formyloxy-2-(phenylmethoxymethyl)butyl] formate
CID 140825986
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
(2S,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxypentane-2,3-diol
CID 11784542
[(3R,4R,5R)-2-acetyloxy-5-[(1R)-1-azido-2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxyoxolan-3-yl] acetate
CID 101108425
methyl (3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-phenyl-4-phenylmethoxypentanoate
CID 11649711
[7-[(1R)-1-azido-2-phenylmethoxyethyl]-4-methyl-1,3-benzodioxol-5-yl]oxy-tert-butyl-diphenylsilane
CID 11664131
tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane
CID 10885655

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane (CID 101040416) is [(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@@H](c1ccccc1)[C@@H](COCc1ccccc1)N=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane?
The InChIKey is QUEPSRRGZPYSJZ-AJQTZOPKSA-N. The full InChI is InChI=1S/C33H37N3O2Si/c1-33(2,3)39(29-20-12-6-13-21-29,30-22-14-7-15-23-30)38-25-31(28-18-10-5-11-19-28)32(35-36-34)26-37-24-27-16-8-4-9-17-27/h4-23,31-32H,24-26H2,1-3H3/t31-,32+/m0/s1.
What are the key properties of [(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane?
[(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane has a molecular weight of 535.76 g/mol, XLogP of 7.24, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 101040416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).