14(R),15(S)-Epoxy-(5Z,8Z,11Z)-eicosatrienoic acid

HCID 1431CAS 105304-92-5

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCCC1OC1CC=CCC=CCC=CCCCC(=O)O
InChIKey: JBSCUHKPLGKXKH-UHFFFAOYSA-N
分子式: C20H32O3
平均分子量: 320.5 g/mol
単同位体質量: 320.23514488

概要

14,15-Epoxy-5,8,11-eicosatrienoic acid is a long-chain fatty acid.

名称と識別子

優先名称: 14(R),15(S)-Epoxy-(5Z,8Z,11Z)-eicosatrienoic acid
IUPAC: 13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid
英語名: 14(R),15(S)-Epoxy-(5Z,8Z,11Z)-eicosatrienoic acid
分子式: C20H32O3
分子量: 320.47

名称と別名

14(R),15(S)-Epoxy-(5Z,8Z,11Z)-eicosatrienoic acid105304-92-5RefChem:437437631-283-481276-03-113-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid14,15-epoxyeicosatrienoic acid197508-62-614(15)-EpETrE98103-48-1(+/-)14,15-EET14(15)-Epoxy-5Z,8Z,11Z-eicosatrienoic acid

名称をさらに表示

14[R],15[S]-EET14(R),15(S)-epoxy-(5Z,8Z,11Z)-*eicosatrienoic aci

CBiol_001861KBioGR_000055KBioSS_000055orb1941320SCHEMBL15323230KBio2_000055KBio2_002623KBio2_005191

データベース識別子

CAS: 105304-92-5、81276-03-1
PubChem CID: 1431
DTXSID: DTXSID60868608
ChEBI: CHEBI:171866
EC Number: 631-283-4

物性

構造計算による物性

XLogP: 5.3
極性表面積: 49.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 14
重原子数: 23
形式電荷: 0
複雑度: 396

物理化学的性質

貯蔵温度: 20 °C · −20°C
溶解性: Ethanol: Soluble

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-36

化学と産業

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