16-Doxyl-stearic acid methyl ester - CAS 59719-53-8
Catalog: |
BB030467 |
Product Name: |
16-Doxyl-stearic acid methyl ester |
CAS: |
59719-53-8 |
Synonyms: |
methyl 15-(2-ethyl-3-lambda1-oxidanyl-4,4-dimethyl-1,3-oxazolidin-2-yl)pentadecanoate |
Description: | 16-Doxyl-stearic acid methyl ester (CAS# 59719-53-8 ) is a useful research chemical. |
Molecular Weight: | 398.60 |
Molecular Formula: | C23H44NO4 |
Canonical SMILES: | CCC1(N(C(CO1)(C)C)[O])CCCCCCCCCCCCCCC(=O)OC |
InChI: | InChI=1S/C23H44NO4/c1-5-23(24(26)22(2,3)20-28-23)19-17-15-13-11-9-7-6-8-10-12-14-16-18-21(25)27-4/h5-20H2,1-4H3 |
InChI Key: | XVQIOHOXFFTSLD-UHFFFAOYSA-N |
MDL: | MFCD00010155 |
LogP: | 6.12130 |
PMID | Publication Date | Title | Journal |
17488113 | 20070531 | Location of spectroscopic probes in self-aggregating assemblies. II. The location of pyrene and other probes in sodium dodecyl sulfate micelles | The journal of physical chemistry. B |
Complexity: | 427 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 398.32703388 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 398.32703388 |
Rotatable Bond Count: | 17 |
Topological Polar Surface Area: | 39.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.2 |
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