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- 2,4(3H,5H)-呋喃二酮,3-乙酰基-5-甲基-, (5S)- (9CI)
2,4(3H,5H)-呋喃二酮,3-乙酰基-5-甲基-, (5S)- (9CI)
2,4(3H,5H)-呋喃二酮,3-乙酰基-5-甲基-, (5S)- (9CI) 基本信息
- 中文名称:
- 2,4(3H,5H)-呋喃二酮,3-乙酰基-5-甲基-, (5S)- (9CI)
- 中文别名:
- 2,4(3H,5H)-呋喃二酮,3-乙酰基-5-甲基-, (5S)- (9CI)
- 英文名称:
- 1-Naphthacenecarboxylicacid, 4-[[[2''',3''-anhydro]-O-3,6-dideoxy-a-L-erythro-hexopyranos-4-ulos-1-yl-(1®4)-O-2,6-dideoxy-a-L-lyxo-hexopyranosyl-(1®4)-2,3,6-trideoxy-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,12-tetrahydroxy-6,11-dioxo-,methyl ester (9CI)
- 英文别名:
- methyl 4-[4-(dimethylamino)-5-[(2,9-dimethyl-3-oxo-4,4a,5a,6,7,9,9a,10a-octahydrodipyrano[4,2-a:4',3'-e][1,4]dioxin-7-yl)oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate;
5,8,11,14,17-eicosapentaenoic acid methyl ester;
EPA methyl ester;
METHYL ALL-CIS-5,8,11,14,17-EICOSAPENTA;
METHYL ALL-CIS-5,8,11,14,17-EICOSAPENTAENOATE;
ALL CIS 5-8-11-14-17 EPA METHYL ESTER;
Eicosapentaenoic acid methyl;
METHYL CIS-5,8,11,14,17-EICOSAPENTAENOATE;
epelmycin B;
METHYL EICOSAPENTAENOATE
- CAS No.:
- 107807-24-9
- 分 子 式:
- C42H51NO16
- 分 子 量:
- 0
- 精确分子量:
- 825.32100
- PSA:
- 226.28000
- InChI:
- The Key: DKXGZTHFCJJLIP-UHFFFAOYSA-N
- 分子结构式:
-

- SDS:
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2,4(3H,5H)-呋喃二酮,3-乙酰基-5-甲基-, (5S)- (9CI) 物化性质
- 密度:
- 1.48g/cm3
- 沸点:
- 860.2ºC at 760mmHg
- 闪点:
- 474ºC
- 折射率:
- 1.646
- 蒸汽压:
- 1.54E-31mmHg at 25°C
2,4(3H,5H)-呋喃二酮,3-乙酰基-5-甲基-, (5S)- (9CI) 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值(XlogP):4
2.氢键供体数量:4
3.氢键受体数量:17
4.可旋转化学键数量:8
5.互变异构体数量:789
6.拓扑分子极性表面积:226
7.重原子数量:59
8.表面电荷:0
9.复杂度:1610
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:14
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1