2-Dodecyltetradecanoic Acid Methyl Ester - CAS 167083-39-8
Catalog: |
BB067908 |
Product Name: |
2-Dodecyltetradecanoic Acid Methyl Ester |
CAS: |
167083-39-8 |
Synonyms: |
Methyl 2-Dodecyltetradecanoate |
IUPAC Name: | methyl 2-dodecyltetradecanoate |
Description: | 2-Dodecyltetradecanoic Acid Methyl Ester is a reactant used in the synthesis of muramyldipeptide lipophilic derivatives. |
Molecular Weight: | 410.72 |
Molecular Formula: | C27H54O2 |
Canonical SMILES: | CCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)OC |
InChI: | InChI=1S/C27H54O2/c1-4-6-8-10-12-14-16-18-20-22-24-26(27(28)29-3)25-23-21-19-17-15-13-11-9-7-5-2/h26H,4-25H2,1-3H3 |
InChI Key: | DRRASMMUQCSPBJ-UHFFFAOYSA-N |
References: | Kuryanov, V. O., et. al. Bioorg. Khim+, 20, 439 (1994). |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 410.412380961 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 410.412380961 |
Rotatable Bond Count: | 24 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 12.7 |
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