[(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane

C25H33N3O4Si — CID 42597620

IUPAC[(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
SMILESCC1(C)O[C@H]([C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N=[N+]=[N-])[C@@H]([C@@H]2CO2)O1
InChIInChI=1S/C25H33N3O4Si/c1-24(2,3)33(18-12-8-6-9-13-18,19-14-10-7-11-15-19)30-16-20(27-28-26)22-23(21-17-29-21)32-25(4,5)31-22/h6-15,20-23H,16-17H2,1-5H3/t20-,21-,22+,23+/m0/s1
InChIKeyGALJSLAGLQRADO-MYDTUXCISA-N
MW467.64 g/mol
LogP4.16
Rot. Bonds8

About [(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane

[(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane (PubChem CID 42597620) has the molecular formula C25H33N3O4Si and a molecular weight of 467.64 g/mol. Its IUPAC name is [(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
PubChem CID42597620
Molecular FormulaC25H33N3O4Si
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC Name[(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
SMILESCC1(C)O[C@H]([C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N=[N+]=[N-])[C@@H]([C@@H]2CO2)O1
InChIInChI=1S/C25H33N3O4Si/c1-24(2,3)33(18-12-8-6-9-13-18,19-14-10-7-11-15-19)30-16-20(27-28-26)22-23(21-17-29-21)32-25(4,5)31-22/h6-15,20-23H,16-17H2,1-5H3/t20-,21-,22+,23+/m0/s1
InChIKeyGALJSLAGLQRADO-MYDTUXCISA-N
XLogP4.16
TPSA88.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,4S,5S)-3-azido-5-(dimethoxymethyl)-4-fluorooxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 172395990
[(2R,3S,4R,5S)-3-azido-5-(dimethoxymethyl)-4-fluorooxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 176302156
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine
CID 42598099
(1S)-1-[(4R,5R)-5-[(1S)-1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 56926124
3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane
CID 71514367
[(2R,3R,4R,5S)-4-azido-3-fluoro-5-[fluoro(methoxy)methyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 21586039
[(1S)-3-azido-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 10575080
[(3aS,4R,6R,6aR)-4-azido-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methoxy-tert-butyl-diphenylsilane
CID 14018436
[(3aR,5S,6R,6aR)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 15858554
(1S)-1-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethane-1,2-diol
CID 57551944
(3R,4R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 57712811
[(3R,4R,6S)-3,4-diacetyloxy-5-azido-6-[tert-butyl(diphenyl)silyl]oxyoxan-2-yl]methyl acetate
CID 57712837

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane (CID 42597620) is [(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane is CC1(C)O[C@H]([C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N=[N+]=[N-])[C@@H]([C@@H]2CO2)O1.
What is the InChIKey of [(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane?
The InChIKey is GALJSLAGLQRADO-MYDTUXCISA-N. The full InChI is InChI=1S/C25H33N3O4Si/c1-24(2,3)33(18-12-8-6-9-13-18,19-14-10-7-11-15-19)30-16-20(27-28-26)22-23(21-17-29-21)32-25(4,5)31-22/h6-15,20-23H,16-17H2,1-5H3/t20-,21-,22+,23+/m0/s1.
What are the key properties of [(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane?
[(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane has a molecular weight of 467.64 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 42597620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).