3-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1,2-propanediol - CAS 182006-76-4
Catalog: |
BB068668 |
Product Name: |
3-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1,2-propanediol |
CAS: |
182006-76-4 |
Synonyms: |
3-((tert-butyldiphenylsilyl)oxy)propane-1,2-diol; 1-O-(tert-Butyldiphenylsilyl)glycerol; 3-O-(t-butyldiphenylsilyl)-rac-glycerol |
IUPAC Name: | 3-[tert-butyl(diphenyl)silyl]oxypropane-1,2-diol |
Description: | 3-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1,2-propanediol is an intermediate in the synthesis of 1,2-Dioleoyl-rac-glycerol (D482175), which is an analog of 1,3-Dioleoylglycerol (D484210) which is used in the synthesis of amphiphilic gadolinium complexes as MRI contrast agents. |
Molecular Weight: | 330.49 |
Molecular Formula: | C19H26O3Si |
Canonical SMILES: | CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC(CO)O |
InChI: | InChI=1S/C19H26O3Si/c1-19(2,3)23(22-15-16(21)14-20,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,20-21H,14-15H2,1-3H3 |
InChI Key: | RYZYNNLPABISLU-UHFFFAOYSA-N |
Solubility: | Dichloromethane; Chloroform; DMSO; Ethyl Ether |
Appearance: | White Solid |
Storage: | Refrigerator |
References: | Accardo, A., et. al. J. Mater. Chem. B., 1, 617 (2013). |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 330.16512122 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 330.16512122 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 49.7Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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