22-Hydroxydocosanoic acid

HCID 5282922

基本情報

CAS: 506-45-6
標準SMILES: O=C(O)CCCCCCCCCCCCCCCCCCCCCO
InChIKey: IBPVZXPSTLXWCG-UHFFFAOYSA-N
分子式: C22H44O3
平均分子量: 356.6 g/mol
単同位体質量: 356.32904527

概要

22-hydroxydocosanoic acid is an -hydroxy-long-chain fatty acid obtained by monohydroxylation of the terminal methyl group of docosanoic acid. It has a role as a metabolite. It is functionally related to a docosanoic acid. It is a conjugate acid of a 22-hydroxydocosanoate.

名称と識別子

優先名称: 22-Hydroxydocosanoic acid
IUPAC: 22-hydroxydocosanoic acid
英語名: 22-Hydroxydocosanoic acid (Omega-Hydroxybehenic acid)
分子式: C22H44O3
分子量: 356.58

名称と別名

22-hydroxydocosanoic acid506-45-6Phellonic acid22-hydroxy-docosanoic acidomega-hydroxy behenic acid22-hydroxybehenic acidomega-hydroxybehenic acidomega-hydroxydocosanoic acidCHEBI:76322DTXSID40415255RefChem:89717DTXCID30366106

名称をさらに表示

Docosanoic acid, 22-hydroxy-22-Hydroxydocosanoic acid (Omega-Hydroxybehenic acid), omega-Hydroxy C22:0 fatty acid

18060-70-3MFCD0225905222-Hydroxydocosanoic acid (Omega-Hydroxybehenic acid)22-?Hydroxydocosanoic AcidPhellonsaureLMFA01050079SCHEMBL150882orb2283082

データベース識別子

CAS: 506-45-6
PubChem CID: 5282922
DTXSID: DTXSID40415255
ChEBI: CHEBI:76322
Nikkaji: J297.196H

物性

構造計算による物性

XLogP: 7.5
極性表面積: 57.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 21
重原子数: 25
形式電荷: 0
複雑度: 266

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]

物理化学的性質

融点: 96 °C · 96 °C
沸点: 491.6 · 491.6±18.0 °C(Predicted)
比重(密度): 0.929 · 0.929±0.06 g/cm3(Predicted)
貯蔵温度: Store at room temperature
溶解性: Chloroform: Soluble
外見: A solid
酸解離定数(Pka): 4.78 · 4.78±0.10(Predicted)
色: White to off-white

安全と法規制

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H315

化学と産業

応用分野 · 2 件

説明22-hydroxy Docosanoic acid is a hydroxylated fatty acid that has been found in the suberin component of silver birch (B. pendula) outer bark as well as the leaves, roots, and wood of Q. ilex from Cala Violina and Colognole, Italy. [Matreya, LLC. Catalog No. 1818]

使用22-Hydroxydocosanoic Acid is a lipophilic extract from Acacia dealbata which may be used in improving the hydrophobicity of suberin fatty acids.