基本情報
- CAS
3233-92-9- 標準SMILES
O=C(O)CCCCCCCC1OC1CCCCCCCCO- InChIKey
ITTPZDMHCNGAGQ-UHFFFAOYSA-N- 分子式
- C18H34O4
- 平均分子量
- 314.5 g/mol
- 単同位体質量
- 314.24570957
概要
9,10-epoxy-18-hydroxyoctadecanoic acid is an epoxy fatty acid that is 9,10-epoxyoctadecanoic acid (9,10-epoxystearic acid) carrying an additional hydroxy substituent at position 18. It has a role as a plant metabolite. It is an omega-hydroxy-long-chain fatty acid, a hydroxyoctadecanoic acid and an epoxy fatty acid. It is functionally related to a 9,10-epoxyoctadecanoic acid. It is a conjugate acid of a 9,10-epoxy-18-hydroxyoctadecanoate.
名称と識別子
- 優先名称
- 9,10-Epoxy-18-hydroxyoctadecanoic acid
- IUPAC
- 8-[3-(8-hydroxyoctyl)oxiran-2-yl]octanoic acid
名称と別名
9,10-epoxy-18-hydroxyoctadecanoic acid8-[3-(8-hydroxyoctyl)oxiran-2-yl]octanoic Acid3233-92-9CHEBI:133381DTXSID004312948-(3-(8-hydroxyoctyl)oxiran-2-yl)octanoic acidRefChem:107522DTXCID50382126SCHEMBL320497ITTPZDMHCNGAGQ-UHFFFAOYSA-N9,10-epoxy-18-hydroxystearic acid9,10-epoxy-18-hydroxy-octadecanoic acid
名称をさらに表示
C19620
データベース識別子
- CAS
3233-92-9- PubChem CID
- 9818312
- DTXSID
DTXSID00431294- ChEBI
CHEBI:133381- Nikkaji
- J1.039.051F
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 70.1 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 16
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 280
関連反応
7 件
化合物ノート
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