9,10-Epoxy-18-hydroxyoctadecanoic acid

HCID 9818312

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

関連反応

7 件

化合物ノート

読み込み中…