2-Hexyl-3-hydroxy-5-[(tetrahydro-2H-pyran-2-yl)oxy]-hexadecanoic Acid - CAS 104801-93-6
Catalog: |
BB064239 |
Product Name: |
2-Hexyl-3-hydroxy-5-[(tetrahydro-2H-pyran-2-yl)oxy]-hexadecanoic Acid |
CAS: |
104801-93-6 |
Synonyms: |
2-hexyl-3-hydroxy-5-(oxan-2-yloxy)hexadecanoic acid; 2-Hexyl-3-hydroxy-5-[(tetrahydro-2H-pyran-2-yl)oxy]-hexadecanoic Acid; 2-Hexyl-3-hydroxy-5-((tetrahydro-2H-pyran-2-yl)oxy)hexadecanoic acid |
IUPAC Name: | 2-hexyl-3-hydroxy-5-(oxan-2-yloxy)hexadecanoic acid |
Description: | Used in the preparation of lipase inhibitors. |
Molecular Weight: | 456.7 |
Molecular Formula: | C27H52O5 |
Canonical SMILES: | CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)O)O)OC1CCCCO1 |
InChI: | InChI=1S/C27H52O5/c1-3-5-7-9-10-11-12-13-14-18-23(32-26-20-16-17-21-31-26)22-25(28)24(27(29)30)19-15-8-6-4-2/h23-26,28H,3-22H2,1-2H3,(H,29,30) |
InChI Key: | REYXSTWBFWDURU-UHFFFAOYSA-N |
Solubility: | Chloroform, Dichloromethane, Ethyl Acetate |
Appearance: | Yellow Oil |
Complexity: | 442 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 456.38147475 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 456.38147475 |
Rotatable Bond Count: | 21 |
Topological Polar Surface Area: | 76Ų |
Undefined Atom Stereocenter Count: | 4 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.9 |
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