200960-01-6 (5,8-癸二酸，10-[3-（2Z）-2-辛烯基环氧乙烷基]，（5Z，8Z）-,5,8-Decadienoic acid, 10-[3-(2Z)-2-octenyloxiranyl]-, (5Z,8Z)-)

快速询单

结构式：

5,8-癸二酸，10-[3-（2Z）-2-辛烯基环氧乙烷基]，（5Z，8Z）-MOL文件

CAS号：

200960-01-6

中文名称：

5,8-癸二酸，10-[3-（2Z）-2-辛烯基环氧乙烷基]，（5Z，8Z）-

英文名称：

5,8-Decadienoic acid, 10-[3-(2Z)-2-octenyloxiranyl]-, (5Z,8Z)-

分子式：

C₂₀H₃₂O₃

分子量：

320.466286659241

5,8-癸二酸，10-[3-（2Z）-2-辛烯基环氧乙烷基]，（5Z，8Z）-(200960-01-6)名称与标识符

名称

英文别名：

5,8-Decadienoic acid, 10-[3-(2Z)-2-octenyloxiranyl]-, (5Z,8Z)-;11,12-Epoxyeicosatrienoic acid;(5Z,8Z)-10-[3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid;11,12-Epoxyeicosa-5,8,14-trienoic acid;BML1-D10;11(12)-Epoxy-5Z,8Z,14Z-eicosatrienoic acid;11,12-epoxy-5Z,8Z,11Z-icosatrienoic acid;HMS1989A17;(5Z,8Z)-10-{3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoic acid;HMS1361A17;Q27104280;()11(12)-Epoxyeicosatrienoic acid;HMS1791A17;SCHEMBL2508933;5,8-decadienoic acid, 10-(3-(2Z)-2-octen-1-yl-2-oxiranyl)-, (5Z,8Z)-;11,12-epoxy-5,8,14-eicosatrienoic acid;NCGC00161267-02;(5Z,8Z,14Z)-11,12-Epoxyeicosa-5,8,14-trienoic acid;CHEBI:34130;(5Z,8Z,14Z)-11,12-Epoxyicosa-5,8,14-trienoic acid;IDI1_033765;200960-01-6;11,12-Eet;NCGC00161267-03;HMS3402A17;NCGC00161267-01;CHEMBL128339;(+/-)11(12)-EET;LMFA03080004;11,12-epoxyarachidonic acid;(+/-)11,12-EpETrE;5DOQ38R4UW;all-cis-11,12-epoxyeicosa-5,8,11-trienoic acid;UNII-5DOQ38R4UW;BSPBio_001295;11,12-epoxy-5Z,8Z,14Z-eicosatrienoic acid;

标识符

InChIKey：

DXOYQVHGIODESM-KROJNAHFSA-N

Inchi：

1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6-,12-9-,13-10-

SMILES：

O1C(C/C=C\C/C=C\CCCC(=O)O)C1C/C=C\CCCCC

5,8-癸二酸，10-[3-（2Z）-2-辛烯基环氧乙烷基]，（5Z，8Z）-(200960-01-6)物化性质

实验特性

PSA : 49.83

计算特性

精确分子量 : 320.23526
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 14
同位素质量 : 320.23514488g/mol
重原子数量 : 23
复杂度 : 396
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 2
确定化学键立构中心数量 : 3
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 5.4
拓扑分子极性表面积 : 49.8Å²

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