3. 结构
3.1 二维结构
3.2 三维结构
-1
-2
-3
65 66 0 1 0 0 0 0 0999 V2000
1.8653 -0.1979 0.8384 P 0 0 0 0 0 0 0 0 0 0 0 0
-3.8322 -0.1438 -0.0814 Si 0 0 0 0 0 0 0 0 0 0 0 0
-3.1222 -1.6509 0.0763 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7484 -0.2577 2.3485 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7877 -1.8501 -0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7502 -1.2722 0.6197 C 0 0 2 0 0 0 0 0 0 0 0 0
0.7164 -1.4220 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6094 1.2322 0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2729 0.0027 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5004 0.1196 -1.8200 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6141 -3.3632 -0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6728 -1.1746 -1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8993 -1.8509 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4844 -0.6282 0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4606 1.4107 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1540 2.6497 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9224 -0.1829 2.5946 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5675 -0.8689 -2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6189 -0.2787 0.9642 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4006 1.6105 -1.1905 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6176 -1.3144 -0.9753 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2037 2.4702 1.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8867 -0.6154 0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0837 2.8700 -1.6998 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8852 -1.6512 -1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8868 3.7295 0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0198 -1.3016 -0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8268 3.9295 -0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8784 -0.2110 0.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7752 -1.3357 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0873 -2.4219 0.4308 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7314 1.2172 -0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2806 1.1171 1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0244 -0.7473 0.8526 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7463 0.9820 0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7163 0.1853 -2.5765 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9668 1.1133 -1.8231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7922 -3.9038 0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3534 -3.7500 -1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6183 -3.6246 -0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5812 -0.0913 -1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7672 -1.5267 -2.2812 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4789 -1.4980 -2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5348 -2.8817 2.0924 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9463 -1.8500 2.3544 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 -1.2633 2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3834 3.3749 0.4669 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0151 2.8103 0.8422 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4635 2.8758 -0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8236 -0.0934 3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2075 0.5733 2.9359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4857 -1.1701 2.7804 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9117 -0.6151 -3.2801 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4401 -0.8556 -1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1764 -1.8917 -2.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5233 0.2582 1.9035 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5932 0.7943 -1.8796 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7600 -1.5904 -1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2468 2.3289 2.1342 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7701 -0.3425 1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0351 3.0250 -2.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9895 -2.1827 -2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6856 4.5543 1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0068 -1.5630 -1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5788 4.9097 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 7 1 0 0 0 0
1 14 1 0 0 0 0
1 15 1 0 0 0 0
2 3 1 0 0 0 0
2 8 1 0 0 0 0
2 9 1 0 0 0 0
2 10 1 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
5 11 1 0 0 0 0
5 12 1 0 0 0 0
6 7 1 0 0 0 0
6 13 1 0 0 0 0
6 29 1 0 0 0 0
7 30 1 0 0 0 0
7 31 1 0 0 0 0
8 16 1 0 0 0 0
8 32 1 0 0 0 0
8 33 1 0 0 0 0
9 17 1 0 0 0 0
9 34 1 0 0 0 0
9 35 1 0 0 0 0
10 18 1 0 0 0 0
10 36 1 0 0 0 0
10 37 1 0 0 0 0
11 38 1 0 0 0 0
11 39 1 0 0 0 0
11 40 1 0 0 0 0
12 41 1 0 0 0 0
12 42 1 0 0 0 0
12 43 1 0 0 0 0
13 44 1 0 0 0 0
13 45 1 0 0 0 0
13 46 1 0 0 0 0
14 19 2 0 0 0 0
14 21 1 0 0 0 0
15 20 2 0 0 0 0
15 22 1 0 0 0 0
16 47 1 0 0 0 0
16 48 1 0 0 0 0
16 49 1 0 0 0 0
17 50 1 0 0 0 0
17 51 1 0 0 0 0
17 52 1 0 0 0 0
18 53 1 0 0 0 0
18 54 1 0 0 0 0
18 55 1 0 0 0 0
19 23 1 0 0 0 0
19 56 1 0 0 0 0
20 24 1 0 0 0 0
20 57 1 0 0 0 0
21 25 2 0 0 0 0
21 58 1 0 0 0 0
22 26 2 0 0 0 0
22 59 1 0 0 0 0
23 27 2 0 0 0 0
23 60 1 0 0 0 0
24 28 2 0 0 0 0
24 61 1 0 0 0 0
25 27 1 0 0 0 0
25 62 1 0 0 0 0
26 28 1 0 0 0 0
26 63 1 0 0 0 0
27 64 1 0 0 0 0
28 65 1 0 0 0 0
4. 国际命名与标识
4.1 IUPAC Name
[(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-triethylsilane
4.2 InChl
InChI=1S/C24H37O2PSi/c1-7-28(8-2,9-3)26-24(5,6)21(4)20-27(25,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-19,21H,7-9,20H2,1-6H3/t21-/m0/s1
4.3 InChlKey
MIKIXTFPADAALY-NRFANRHFSA-N
4.4 Canonical SMILES
CC[Si](CC)(CC)OC(C)(C)C(C)CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
4.5 lsomeric SMILES
CC[Si](CC)(CC)OC(C)(C)[C@@H](C)CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
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
