| Entry |
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| Name |
Polysorbate 20 (NF);
Polysorbate (INN);
Tween 20 (TN) |
|---|
| Formula |
C18H34O6(C2H4O)w(C2H4O)z(C2H4O)y(C2H4O)x
|
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| Structure |
|
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| Simcomp |
|
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| Remark |
|
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| Efficacy |
Pharmaceutic aid (surfactant) |
|---|
| Comment |
w+x+y+z=20
C52H114O26 (approximate)
|
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| Other DBs |
|
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| KCF data |
ATOM 36
1 C1y C 35.5561 -19.1398
2 C1y C 36.8854 -19.1398
3 C1y C 37.2963 -17.8755
4 O2x O 36.2208 -17.0942
5 C1x C 35.1454 -17.8755
6 O2a O 38.4475 -19.8696
7 C1b C 39.5987 -19.2048
8 O2a O 39.5987 -17.8755
9 C1c C 38.4475 -17.2109
10 C1b C 32.8429 -19.2048
11 O2a O 33.9941 -19.8696
12 O1a O 30.5405 -19.2048
13 C1b C 31.6918 -19.8696
14 C1b C 40.7500 -19.8696
15 O1a O 41.9012 -19.2048
16 C1b C 41.9012 -17.8755
17 C1b C 40.7500 -17.2109
18 C1b C 38.4476 -15.8108
19 O2a O 39.6236 -15.1316
20 C1b C 40.7712 -15.7940
21 C1b C 41.8921 -15.1465
22 O1a O 43.0286 -17.2244
23 O7a O 43.4257 -15.8015
24 C7a C 44.5531 -15.1504
25 C1b C 45.6844 -15.8035
26 C1a C 47.2318 -15.1514
27 O6a O 44.5530 -13.8167
28 C1b C 45.6844 -15.8035
29 C1b C 45.6844 -15.8035
30 C1b C 45.6844 -15.8035
31 C1b C 45.6844 -15.8035
32 C1b C 45.6844 -15.8035
33 C1b C 45.6844 -15.8035
34 C1b C 45.6844 -15.8035
35 C1b C 45.6844 -15.8035
36 C1b C 45.6844 -15.8035
BOND 36
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 6 7 1
7 8 9 1
8 3 9 1
9 10 11 1
10 12 13 1
11 10 13 1
12 7 14 1
13 14 15 1
14 16 17 1
15 8 17 1
16 1 11 1
17 2 6 1
18 9 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 16 22 1
23 21 23 1
24 23 24 1
25 24 27 2
26 24 25 1
27 25 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 32 33 1
33 33 34 1
34 34 35 1
35 35 36 1
36 36 26 1
BRACKET 1 31.5700 -20.5100 31.5700 -18.9000
1 34.3000 -18.9000 34.3000 -20.5100
1 w
ORIGINAL 1 10 11 13
REPEAT 1
2 38.1500 -20.5100 38.1500 -18.9000
2 40.8100 -18.9000 40.8100 -20.5100
2 z
ORIGINAL 2 6 7 14
REPEAT 2
3 39.2700 -18.3400 39.2700 -16.8000
3 41.9300 -16.8000 41.9300 -18.3400
3 y
ORIGINAL 3 8 16 17
REPEAT 3
4 39.2700 -16.3100 39.2700 -14.6300
4 41.9300 -14.6300 41.9300 -16.3100
4 x
ORIGINAL 4 19 20 21
REPEAT 4
5 45.3600 -16.5900 45.3600 -15.0500
5 45.9900 -15.0500 45.9900 -16.5900
5 10
ORIGINAL 5 25
REPEAT 5 28 29 30 31 32 33 34 35 36
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