Entry |
|
Name |
Polysorbate 40 (NF); Polysorbate (INN); Tween 40 (TN) |
Formula |
C18H34O6(C2H4O)w(C2H4O)z(C2H4O)y(C2H4O)x
|
Structure |
|
Simcomp |
|
Efficacy |
Pharmaceutic aid (surfactant) |
Comment |
C62H122O26 (approximate)
|
Other DBs |
|
KCF data |
ATOM 36
1 C1y C 34.0861 -19.1398
2 C1y C 35.4154 -19.1398
3 C1y C 35.8263 -17.8755
4 O2x O 34.7508 -17.0942
5 C1x C 33.6754 -17.8755
6 O2a O 36.9775 -19.8696
7 C1b C 38.1287 -19.2048
8 O2a O 38.1287 -17.8755
9 C1c C 36.9775 -17.2109
10 C1b C 31.3729 -19.2048
11 O2a O 32.5241 -19.8696
12 O1a O 29.0705 -19.2048
13 C1b C 30.2218 -19.8696
14 C1b C 39.2800 -19.8696
15 O1a O 40.4312 -19.2048
16 C1b C 40.4312 -17.8755
17 C1b C 39.2800 -17.2109
18 C1b C 36.9776 -15.8108
19 O2a O 38.1536 -15.1316
20 C1b C 39.3012 -15.7940
21 C1b C 40.4221 -15.1465
22 O1a O 41.5586 -17.2244
23 O7a O 41.9557 -15.8015
24 C7a C 43.0831 -15.1504
25 C1b C 44.2144 -15.8035
26 C1a C 45.7618 -15.1514
27 O6a O 43.0830 -13.8167
28 C1b C 44.2144 -15.8035
29 C1b C 44.2144 -15.8035
30 C1b C 44.2144 -15.8035
31 C1b C 44.2144 -15.8035
32 C1b C 44.2144 -15.8035
33 C1b C 44.2144 -15.8035
34 C1b C 44.2144 -15.8035
35 C1b C 44.2144 -15.8035
36 C1b C 44.2144 -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 30.1000 -20.5800 30.1000 -18.9700
1 32.8300 -18.9700 32.8300 -20.5800
1 w
ORIGINAL 1 10 11 13
REPEAT 1
2 36.6800 -20.5100 36.6800 -18.9000
2 39.3400 -18.9000 39.3400 -20.5100
2 z
ORIGINAL 2 6 7 14
REPEAT 2
3 37.8000 -18.4100 37.8000 -16.8700
3 40.4600 -16.8700 40.4600 -18.4100
3 y
ORIGINAL 3 8 16 17
REPEAT 3
4 37.8000 -16.3100 37.8000 -14.6300
4 40.4600 -14.6300 40.4600 -16.3100
4 x
ORIGINAL 4 19 20 21
REPEAT 4
5 43.8900 -16.5900 43.8900 -15.0500
5 44.5200 -15.0500 44.5200 -16.5900
5 10
ORIGINAL 5 25
REPEAT 5 28 29 30 31 32 33 34 35 36
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