2-Decyldodecanoic Acid Methyl Ester - CAS 180476-33-9
Catalog: |
BB068585 |
Product Name: |
2-Decyldodecanoic Acid Methyl Ester |
CAS: |
180476-33-9 |
Synonyms: |
Methyl 2-decyldodecanoate; 2-Decyldodecanoic Acid Methyl Ester |
IUPAC Name: | methyl 2-decyldodecanoate |
Description: | 2-Decyldodecanoic Acid Methyl Ester is the methyl ester of 2-Decyldodecanoic acid (D227100) which is used as a reactant to synthesize Vizantin, a compound that was developed as a safe immunostimulant. |
Molecular Weight: | 354.61 |
Molecular Formula: | C23H46O2 |
Canonical SMILES: | CCCCCCCCCCC(CCCCCCCCCC)C(=O)OC |
InChI: | InChI=1S/C23H46O2/c1-4-6-8-10-12-14-16-18-20-22(23(24)25-3)21-19-17-15-13-11-9-7-5-2/h22H,4-21H2,1-3H3 |
InChI Key: | FVXZCOIVSLGPAR-UHFFFAOYSA-N |
References: | Yamamoto, H., et al. J. Med. Chem., 56, 381 (2013). |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 354.349780706 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 354.349780706 |
Rotatable Bond Count: | 20 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 10.5 |
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