2-Hexyl-3-oxo-5-[(tetrahydro-2H-pyran-2-yl)oxy]-hexadecanoic Acid Methyl Ester(Mixture of Diastereomers) - CAS 104801-67-4
Catalog: |
BB056191 |
Product Name: |
2-Hexyl-3-oxo-5-[(tetrahydro-2H-pyran-2-yl)oxy]-hexadecanoic Acid Methyl Ester(Mixture of Diastereomers) |
CAS: |
104801-67-4 |
Synonyms: |
methyl 2-hexyl-5-(oxan-2-yloxy)-3-oxohexadecanoate; 2-Hexyl-3-oxo-5-[(tetrahydro-2H-pyran-2-yl)oxy]-hexadecanoic Acid Methyl Ester(Mixture of Diastereom; methyl 2-hexyl-3-oxo -5-[(tetrahydro-2H-pyran-2-yl)oxy]hexadecanoate; methyl 2-hexyl-3-oxo-5-[(tetrahydro-2H-pyran-2-yl)oxy]hexadecanoate; 2-Hexyl-3-oxo-5-[(tetrahydro-2H-pyran-2-yl)oxy]-hexadecanoic Acid Methyl Ester |
IUPAC Name: | methyl 2-hexyl-5-(oxan-2-yloxy)-3-oxohexadecanoate |
Description: | Used in the preparation of oxetanone derivatives as pancreatic lipase inhibitors. |
Molecular Weight: | 468.71 |
Molecular Formula: | C28H52O5 |
Canonical SMILES: | CCCCCCCCCCCC(CC(=O)C(CCCCCC)C(=O)OC)OC1CCCCO1 |
InChI: | InChI=1S/C28H52O5/c1-4-6-8-10-11-12-13-14-15-19-24(33-27-21-17-18-22-32-27)23-26(29)25(28(30)31-3)20-16-9-7-5-2/h24-25,27H,4-23H2,1-3H3 |
InChI Key: | RYBPPYGMJPYBFL-UHFFFAOYSA-N |
Solubility: | Methanol (Slightly) |
Appearance: | Clear Colorless Oil |
Storage: | Refrigerator |
Complexity: | 493 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 468.38147475 |
Formal Charge: | 0 |
Heavy Atom Count: | 33 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 468.38147475 |
Rotatable Bond Count: | 22 |
Topological Polar Surface Area: | 61.8Ų |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 9.4 |
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