CAS号:27854-31-5-2H，2H-全氟癸酸 - Decanoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro--科华智慧

1. 主信息

英文名:	Decanoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-
中文名:	2H，2H-全氟癸酸
CAS编号:	27854-31-5
化学分子式：	C₈F₁₇CH₂COOH
化学分子量：	478.10 g/mol
SMILES：	C(C(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
来源：	合成化合物
结构类型：	-
其它名称或标识：	2-(perfluorodecyl)ethanoic acid 2-perfluorodecylethanoic acid 2-perfluorooctyl ethanoic acid 2H,2H-perfluorododecanoic acid 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanoic acid

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	10mg	-	7760	-20°C	现货	-

回顶

3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 32 31 0 0 0 0 0 0 0999 V2000 0.8837 1.3108 -1.2003 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8054 1.6782 0.1134 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1096 -0.3032 1.8279 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 1.3667 1.5130 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2256 -1.2418 -1.5414 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 0.1862 -2.0659 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4538 -1.8700 0.1520 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6337 -1.0392 1.7788 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -2.1370 -1.1195 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0694 -1.9464 0.7182 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3965 0.4114 1.2967 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6693 -1.3446 1.0544 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5851 -0.1766 -1.6306 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9687 -1.4061 -0.4960 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1634 1.9637 0.0584 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8676 1.1249 -1.0128 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6041 0.7256 1.1162 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5742 1.6644 -0.9768 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1557 1.0295 1.1678 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0694 0.7194 -0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9251 0.2814 0.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -0.3844 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0334 -0.7176 0.5963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7043 -1.2232 -0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8729 -0.4753 0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1218 -0.3407 -0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7129 0.2668 -0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9521 0.8710 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8702 1.0063 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1222 -0.4378 -1.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1182 1.0341 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3341 2.1561 -0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 4 21 1 0 0 0 0 5 22 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 14 26 1 0 0 0 0 15 28 1 0 0 0 0 16 28 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 32 1 0 0 0 0 19 29 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0

回顶

4. 国际命名与标识

4.1 IUPAC Name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanoic acid

4.2 InChl

InChI=1S/C10H3F17O2/c11-3(12,1-2(28)29)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H2,(H,28,29)

4.3 InChlKey

XTBXSCIWOVSSGB-UHFFFAOYSA-N

4.4 Canonical SMILES

C(C(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

4.5 lsomeric SMILES

4.6 SDF文件

补充中

回顶

5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

回顶

6. 相关药材

中文名称

英文名称

拉丁文名称

回顶

7. 相关靶点

基因靶点

靶点位置

参考文献

回顶

8. 相关疾病

疾病名称

疾病类型