3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
38 37 0 0 0 0 0 0 0999 V2000
-2.3052 0.0074 -0.1361 Si 0 0 0 0 0 0 0 0 0 0 0 0
2.3073 0.0021 0.1420 Si 0 0 0 0 0 0 0 0 0 0 0 0
-3.4092 -0.0204 1.1291 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5980 1.3657 -1.0785 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5308 -1.3702 -1.0706 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5839 1.3564 1.0928 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5578 -1.3733 1.0680 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3919 0.0142 -1.1385 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5557 0.0284 0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5531 0.0360 -0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7999 -0.0392 0.8415 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4818 2.6571 -0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3678 -2.6519 -0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4625 2.6502 0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4048 -2.6550 0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7869 -0.0075 -0.8702 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4486 0.9075 1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4336 -0.8442 1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4483 0.9239 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4335 -0.8288 -1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1049 0.8607 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3427 -0.0586 1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0766 -0.9357 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7566 3.3956 -1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4506 2.8594 -0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1624 2.7773 0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0476 -2.7916 0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3313 -2.8125 -0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6105 -3.4061 -1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4311 2.8492 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1449 2.7793 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7313 3.3859 1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6548 -3.4087 1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0846 -2.7871 -0.3734 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3693 -2.8236 0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0746 -0.9204 -0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0958 0.8760 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3167 0.0057 -1.8276 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 4 1 0 0 0 0
1 5 1 0 0 0 0
1 9 1 0 0 0 0
2 6 1 0 0 0 0
2 7 1 0 0 0 0
2 8 1 0 0 0 0
2 10 1 0 0 0 0
3 11 1 0 0 0 0
4 12 1 0 0 0 0
5 13 1 0 0 0 0
6 14 1 0 0 0 0
7 15 1 0 0 0 0
8 16 1 0 0 0 0
9 10 1 0 0 0 0
9 17 1 0 0 0 0
9 18 1 0 0 0 0
10 19 1 0 0 0 0
10 20 1 0 0 0 0
11 21 1 0 0 0 0
11 22 1 0 0 0 0
11 23 1 0 0 0 0
12 24 1 0 0 0 0
12 25 1 0 0 0 0
12 26 1 0 0 0 0
13 27 1 0 0 0 0
13 28 1 0 0 0 0
13 29 1 0 0 0 0
14 30 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
15 33 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
trimethoxy(2-trimethoxysilylethyl)silane
4.2 InChl
InChI=1S/C8H22O6Si2/c1-9-15(10-2,11-3)7-8-16(12-4,13-5)14-6/h7-8H2,1-6H3
4.3 InChlKey
JCGDCINCKDQXDX-UHFFFAOYSA-N
4.4 Canonical SMILES
CO[Si](CC[Si](OC)(OC)OC)(OC)OC
4.5 lsomeric SMILES
-
4.6 SDF文件
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)
5.4 红外光谱(IR)
5.5 紫外/可见光谱(UV/Vis)
6. 相关药材
7. 相关靶点
8. 相关疾病
