|
Maltose |
|
|
|
ID: API-36761 CAS:69-79-4 Supplier:APIchem SMILES:O(C1C(O)C(O)C(OC1CO)O)C1OC(C(O)C(O)C1O)CO ChemMol.com FORMULA: C12H22O11
MASS: 342.2965
EXACT MASS: 342.1162115
INTERATOMIC DISTANCES
O 1 O 2 O 3 O 4 O 5 O 6
------------------------------------------------------------------
O 1 0.0000
O 2 1.7321 0.0000
O 3 2.6458 2.6457 0.0000
O 4 2.0000 3.6055 3.0000 0.0000
O 5 2.0000 2.6458 4.5826 3.4641 0.0000
O 6 3.4641 3.0000 5.5678 5.2915 2.0000 0.0000
O 7 4.0000 2.6457 5.1961 6.0000 3.4641 2.0000
O 8 3.4641 4.5826 2.6458 2.0000 5.2915 6.9282
O 9 4.0000 4.3589 1.7321 3.4641 6.0000 7.2111
O 10 3.0000 1.7320 2.0000 4.3589 4.3589 4.5826
O 11 4.3590 2.6458 4.5826 6.2450 4.5826 3.6056
C 12 1.0000 2.0000 1.7321 1.7320 3.0000 4.3589
C 13 1.7320 3.0000 2.0000 1.0000 3.6055 5.1962
C 14 1.0001 1.0000 3.0000 3.0000 1.7321 2.6457
C 15 1.7321 1.7320 1.0000 2.6458 3.6056 4.5826
C 16 1.7321 1.7320 4.0000 3.6056 1.0001 1.7320
C 17 2.6458 2.0000 4.5826 4.5826 1.7321 1.0000
C 18 3.0000 1.7320 4.3589 5.0000 2.6458 1.7320
C 19 2.6457 3.6056 1.7321 1.7320 4.5826 6.0828
C 20 2.6458 1.0000 3.4641 4.5826 3.0000 2.6457
C 21 3.0000 3.4641 1.0001 2.6457 5.0000 6.2450
C 22 2.0000 1.0000 1.7320 3.4641 3.4641 4.0000
C 23 3.4641 1.7320 3.6055 5.2915 4.0000 3.4641
H 24 0.9341 1.1500 1.9294 2.5045 2.6782 3.7111
H 25 1.0828 2.6782 2.5343 0.9341 2.7879 4.4802
H 26 0.9341 1.8500 3.5032 2.6781 1.0828 2.6216
H 27 2.5045 1.9294 0.9341 3.4601 4.2394 4.9267
H 28 1.0828 1.9294 3.6500 2.7879 0.9341 2.5045
H 29 2.6216 2.5343 4.9267 4.3787 1.0829 0.9341
H 30 3.5032 2.5045 5.1500 5.4747 2.6216 1.0828
H 31 2.6216 0.9341 2.7609 4.3786 3.5032 3.4601
H 32 3.4601 4.2394 1.9294 2.5045 5.4196 6.8609
H 33 3.5032 3.5669 0.9341 3.4601 5.4747 6.5017
H 34 2.1944 0.6592 2.3450 3.8917 3.3039 3.5476
H 35 1.4333 0.6592 2.0295 3.1022 2.8556 3.5476
H 36 3.1022 1.4155 2.9898 4.8263 3.9399 3.7220
H 37 3.8918 2.1829 3.6167 5.6193 4.5875 4.0761
H 38 2.6199 4.2100 3.3533 0.6200 4.0130 5.8808
H 39 2.6200 3.1408 5.1927 4.0130 0.6200 1.7733
H 40 4.0130 3.3533 5.9770 5.8808 2.6200 0.6200
H 41 4.3433 3.1407 5.7414 6.3328 3.5191 1.7732
H 42 4.0130 5.0104 2.8292 2.6200 5.8808 7.4716
H 43 4.3433 4.4726 1.8397 4.0130 6.3328 7.4070
H 44 3.3533 2.2901 1.7732 4.4726 4.8708 5.1927
H 45 4.8708 3.1408 4.8212 6.7055 5.1928 4.2100
O 7 O 8 O 9 O 10 O 11 C 12
------------------------------------------------------------------
O 7 0.0000
O 8 7.2111 0.0000
O 9 6.9282 2.0000 0.0000
O 10 3.6055 4.5826 3.6056 0.0000
O 11 1.7321 7.0000 6.2450 2.6458 0.0000
C 12 4.5826 2.6457 3.0000 2.6458 4.5826 0.0000
C 13 5.5677 1.7320 2.6457 3.4641 5.5678 1.0000
C 14 2.9999 4.3589 4.5826 2.6457 3.4641 1.7321
C 15 4.3589 3.0000 2.6458 1.7320 4.0000 1.0001
C 16 2.6457 5.1962 5.5678 3.4641 3.6055 2.6458
C 17 1.7320 6.0828 6.2450 3.6055 3.0000 3.4641
C 18 1.0000 6.2450 6.0828 3.0000 2.0000 3.6056
C 19 6.2450 1.0000 1.7320 3.6055 6.0000 1.7320
C 20 1.7320 5.5677 5.1962 2.0000 1.7321 3.0000
C 21 6.0828 1.7320 1.0000 3.0000 5.5678 2.0000
C 22 3.4641 4.0000 3.4641 1.0000 3.0000 1.7321
C 23 2.0000 6.0000 5.2915 1.7320 1.0001 3.6055
H 24 3.7513 3.4601 3.5032 2.0790 3.7513 0.8501
H 25 5.0766 2.5045 3.4601 3.5669 5.3219 0.9341
H 26 3.5032 4.3442 4.9267 3.4601 4.2217 1.9294
H 27 4.3442 3.5032 2.6216 1.0828 3.6500 1.8500
H 28 3.4601 4.4802 5.0767 3.5669 4.2395 2.0791
H 29 2.5044 6.0723 6.5017 4.2394 3.8500 3.5669
H 30 0.9341 6.8828 6.8609 3.8500 2.5343 4.2394
H 31 2.5045 5.0766 4.4802 1.1500 1.9294 2.6782
H 32 6.8828 0.9341 1.0828 3.9271 6.4671 2.5045
H 33 6.0722 2.5045 0.9341 2.6781 5.3219 2.5343
H 34 2.8556 4.5875 4.0761 1.0812 2.4267 2.1829
H 35 3.3038 3.9399 3.7220 1.5967 3.1671 1.4156
H 36 2.5068 5.4215 4.6716 1.1267 1.5968 3.1102
H 37 2.5068 6.1381 5.2294 1.6279 1.0812 3.8982
H 38 6.6199 1.7732 3.5191 4.8707 6.8428 2.2900
H 39 3.5191 5.8808 6.6200 4.8708 4.8213 3.6200
H 40 1.7732 7.4716 7.6540 4.8212 3.4849 4.8708
H 41 0.6200 7.6540 7.4716 4.2100 2.2901 5.0104
H 42 7.6540 0.6200 1.7732 4.8212 7.3297 3.1407
H 43 6.9559 2.6200 0.6201 3.4849 6.1257 3.3533
H 44 4.2100 4.4186 3.2069 0.6200 3.1408 2.8292
H 45 2.2901 7.3297 6.4222 2.8292 0.6200 5.0105
C 13 C 14 C 15 C 16 C 17 C 18
------------------------------------------------------------------
C 13 0.0000
C 14 2.6458 0.0000
C 15 1.7321 2.0000 0.0000
C 16 3.4641 1.0000 3.0000 0.0000
C 17 4.3589 1.7320 3.6055 1.0000 0.0000
C 18 4.5826 2.0000 3.4641 1.7320 1.0000 0.0000
C 19 1.0000 3.4641 2.0000 4.3589 5.1962 5.2915
C 20 4.0000 1.7320 2.6457 2.0000 1.7320 1.0000
C 21 1.7320 3.6056 1.7321 4.5826 5.2915 5.1962
C 22 2.6458 1.7320 1.0000 2.6457 3.0000 2.6457
C 23 4.5826 2.6457 2.9999 2.9999 2.6457 1.7320
H 24 1.8500 1.0828 0.9341 2.0791 2.7609 2.7879
H 25 0.8500 2.0791 1.9294 2.7609 3.7111 4.0771
H 26 2.6215 0.8501 2.5343 0.9341 1.9294 2.5343
H 27 2.5045 2.5343 0.8500 3.5032 3.9271 3.5669
H 28 2.7609 0.9341 2.6782 0.8501 1.8500 2.5045
H 29 4.3443 1.9294 3.9271 0.9341 0.8500 1.8500
H 30 5.1790 2.5342 4.2216 1.9293 0.9341 0.8500
H 31 3.6500 1.9293 2.0790 2.5342 2.5045 1.8500
H 32 1.8500 4.2217 2.5343 5.1500 5.9475 5.9601
H 33 2.5045 3.9271 1.9294 4.9267 5.5157 5.2652
H 34 3.1512 1.6278 1.5967 2.3875 2.5564 2.0784
H 35 2.4060 1.1267 1.0812 2.0784 2.5564 2.3875
H 36 4.0630 2.4059 2.4267 2.9560 2.8113 2.0295
H 37 4.8385 3.1512 3.1671 3.5888 3.2657 2.3451
H 38 1.4157 3.6200 3.1408 4.2100 5.1927 5.6199
H 39 4.2100 2.2901 4.2101 1.4158 1.8397 2.8292
H 40 5.7415 3.1407 5.0104 2.2900 1.4158 1.8397
H 41 5.9770 3.3532 4.8707 2.8291 1.8396 1.4158
H 42 2.2901 4.8708 3.3533 5.7415 6.6018 6.7055
H 43 3.1408 4.8212 2.8292 5.8193 6.4222 6.1648
H 44 3.5191 3.1407 1.8396 4.0130 4.2100 3.6200
H 45 5.9770 4.0130 4.3433 4.2100 3.6200 2.6200
C 19 C 20 C 21 C 22 C 23 H 24
------------------------------------------------------------------
C 19 0.0000
C 20 4.5826 0.0000
C 21 1.0000 4.3589 0.0000
C 22 3.0000 1.7320 2.6458 0.0000
C 23 5.0000 1.0000 4.5826 2.0000 0.0000
H 24 2.5045 2.1500 2.5343 1.0828 2.7878 0.0000
H 25 1.8500 3.6500 2.5045 2.6216 4.3786 1.6040
H 26 3.5669 2.5045 3.9271 2.5045 3.4601 1.6179
H 27 2.5343 2.6215 1.9294 0.9341 2.6781 1.6039
H 28 3.7111 2.5343 4.0771 2.6216 3.5032 1.7579
H 29 5.2652 2.5045 5.5157 3.5032 3.4601 3.0112
H 30 5.9601 1.8500 5.9475 3.4601 2.5045 3.4673
H 31 4.0771 0.8500 3.7111 1.0828 0.9341 1.8754
H 32 0.8500 5.1790 0.9341 3.5032 5.4747 3.2043
H 33 1.8500 4.3442 0.8501 2.6215 4.3786 2.8500
H 34 3.5888 1.1267 3.2657 0.6199 1.4332 1.3953
H 35 2.9561 1.6278 2.8113 0.6199 2.1943 0.5995
H 36 4.4225 1.0812 3.9717 1.4332 0.6199 2.3315
H 37 5.1441 1.5968 4.6148 2.1944 0.6200 3.1281
H 38 1.8396 5.1927 2.8291 4.0130 5.8808 3.0937
H 39 5.1927 3.3533 5.6200 4.0131 4.3433 3.2787
H 40 6.6018 2.8292 6.7056 4.3433 3.5191 4.1764
H 41 6.7055 2.2901 6.6018 4.0130 2.6200 4.2011
H 42 1.4158 5.9770 1.8396 4.3433 6.3328 3.9197
H 43 2.2901 5.2330 1.4158 3.5191 5.2100 3.7403
H 44 3.4849 2.6200 2.7431 1.4158 2.2901 2.4194
H 45 6.3328 2.2901 5.8193 3.3533 1.4158 4.2011
H 25 H 26 H 27 H 28 H 29 H 30
------------------------------------------------------------------
H 25 0.0000
H 26 1.8634 0.0000
H 27 2.7781 3.2078 0.0000
H 28 1.9918 0.1500 3.3418 0.0000
H 29 3.5948 1.7321 4.3920 1.6039 0.0000
H 30 4.5826 2.8500 4.3895 2.7781 1.6039 0.0000
H 31 3.4771 2.7781 1.8634 2.8500 3.2043 2.7000
H 32 2.7000 4.3895 2.8500 4.5357 6.0678 6.6701
H 33 3.2043 4.3920 1.7320 4.5407 5.8558 6.0677
H 34 2.9992 2.4709 1.4963 2.5619 3.1608 2.9129
H 35 2.2031 1.8846 1.4254 2.0023 2.9694 3.1409
H 36 3.9355 3.2524 2.0602 3.3197 3.5627 2.8633
H 37 4.7319 3.9867 2.6856 4.0418 4.0777 3.0950
H 38 1.5504 3.2786 3.9196 3.3827 4.9608 6.0896
H 39 3.3827 1.7000 4.8191 1.5505 1.0149 2.6121
H 40 5.0507 3.2037 5.2773 3.0937 1.5504 1.0148
H 41 5.4261 3.7403 4.9116 3.6748 2.4758 0.9071
H 42 3.0937 4.9116 3.7403 5.0507 6.6320 7.3750
H 43 3.9197 5.2508 2.6121 5.4004 6.7506 6.9716
H 44 3.7631 3.9197 1.0148 4.0373 4.8191 4.4700
H 45 5.7943 4.7939 3.8901 4.8192 4.4700 3.1327
H 31 H 32 H 33 H 34 H 35 H 36
------------------------------------------------------------------
H 31 0.0000
H 32 4.5826 0.0000
H 33 3.5948 1.6040 0.0000
H 34 0.4992 4.1182 3.2177 0.0000
H 35 1.2766 3.5803 2.9608 0.7970 0.0000
H 36 0.4839 4.8707 3.7589 0.9363 1.7327 0.0000
H 37 1.2708 5.5341 4.2986 1.7328 2.5296 0.7971
H 38 4.9608 2.4758 3.6748 4.4690 3.6870 5.3995
H 39 3.9460 6.0325 6.0897 3.7988 3.4162 4.3562
H 40 3.6748 7.3610 6.9072 3.8376 3.9475 3.8678
H 41 3.0937 7.3750 6.6320 3.4161 3.7988 3.1205
H 42 5.4261 0.9071 2.4759 4.9496 4.3562 5.7366
H 43 4.4643 1.7000 0.9071 4.1067 3.8678 4.5937
H 44 1.7700 3.6760 2.2737 1.6620 2.0354 1.7102
H 45 2.3324 6.7380 5.4893 2.8284 3.6051 1.9203
H 37 H 38 H 39 H 40 H 41 H 42
------------------------------------------------------------------
H 37 0.0000
H 38 6.1882 0.0000
H 39 4.9496 4.5379 0.0000
H 40 4.1067 6.4759 2.3716 0.0000
H 41 3.1205 6.9507 3.4641 1.3800 0.0000
H 42 6.4181 2.3716 6.4759 8.0021 8.1202 0.0000
H 43 5.0762 4.1077 6.9508 7.8144 7.5228 2.3716
H 44 2.0750 4.9339 5.4053 5.4400 4.8185 4.5826
H 45 1.2045 7.2919 5.4400 4.0601 2.8059 7.6200
H 43 H 44 H 45
---------------------------------
H 43 0.0000
H 44 3.0074 0.0000
H 45 6.2450 3.2380 0.0000
ATOMIC CHARGES
O 1 -0.3401392700
O 2 -0.3405201815
O 3 -0.3406923650
O 4 -0.3863908710
O 5 -0.3841039373
O 6 -0.3864008834
O 7 -0.3864882690
O 8 -0.3841100618
O 9 -0.3648790754
O 10 -0.3923660645
O 11 -0.3923661820
C 12 0.1184099814
C 13 0.1144196798
C 14 0.1884356587
C 15 0.1133635253
C 16 0.1341243642
C 17 0.1140614688
C 18 0.1118957571
C 19 0.1339366507
C 20 0.1130051432
C 21 0.1853949809
C 22 0.0730249900
C 23 0.0730151421
H 24 0.0650517730
H 25 0.0647678387
H 26 0.0937525857
H 27 0.0646773891
H 28 0.0670952863
H 29 0.0647581102
H 30 0.0646728421
H 31 0.0646676548
H 32 0.0670893239
H 33 0.0935445050
H 34 0.0583702735
H 35 0.0583702735
H 36 0.0583701609
H 37 0.0583701609
H 38 0.2100051762
H 39 0.2101104719
H 40 0.2100050343
H 41 0.2100035480
H 42 0.2101103772
H 43 0.2125609721
H 44 0.2095080311
H 45 0.2095080306
BOND ANGLES
14 1 12 C3 O3 C3 119.998
1 12 13 O3 C3 C3 120.001
1 12 15 O3 C3 C3 119.998
1 12 24 O3 C3 HC 60.003
12 1 14 C3 O3 C3 119.998
1 14 16 O3 C3 C3 119.998
1 14 26 O3 C3 HC 59.995
20 2 14 C3 O3 C3 119.999
2 14 16 O3 C3 C3 120.001
2 14 26 O3 C3 HC 179.974
14 2 20 C3 O3 C3 119.999
2 20 23 O3 C3 C3 119.999
2 20 31 O3 C3 HC 59.999
21 3 15 C3 O3 C3 119.998
3 15 22 O3 C3 C3 120.001
3 15 27 O3 C3 HC 59.999
15 3 21 C3 O3 C3 119.998
3 21 33 O3 C3 HC 59.995
38 4 13 HO O3 C3 119.998
4 13 19 O3 C3 C3 120.001
4 13 25 O3 C3 HC 59.999
13 4 38 C3 O3 HO 119.998
39 5 16 HO O3 C3 119.998
5 16 17 O3 C3 C3 120.001
5 16 28 O3 C3 HC 59.995
16 5 39 C3 O3 HO 119.998
40 6 17 HO O3 C3 120.002
6 17 18 O3 C3 C3 120.001
6 17 29 O3 C3 HC 59.999
17 6 40 C3 O3 HO 120.002
41 7 18 HO O3 C3 120.001
7 18 20 O3 C3 C3 120.001
7 18 30 O3 C3 HC 59.999
18 7 41 C3 O3 HO 120.001
42 8 19 HO O3 C3 120.001
8 19 21 O3 C3 C3 119.999
8 19 32 O3 C3 HC 59.999
19 8 42 C3 O3 HO 120.001
43 9 21 HO O3 C3 119.997
9 21 33 O3 C3 HC 60.003
21 9 43 C3 O3 HO 119.997
44 10 22 HO O3 C3 120.001
10 22 34 O3 C3 HC 80.000
10 22 35 O3 C3 HC 160.002
22 10 44 C3 O3 HO 120.001
45 11 23 HO O3 C3 120.000
11 23 36 O3 C3 HC 159.999
11 23 37 O3 C3 HC 79.990
23 11 45 C3 O3 HO 120.000
15 12 13 C3 C3 C3 120.001
12 13 19 C3 C3 C3 120.001
12 13 25 C3 C3 HC 59.999
24 12 13 HC C3 C3 179.974
12 13 19 C3 C3 C3 120.001
12 13 25 C3 C3 HC 59.999
13 12 15 C3 C3 C3 120.001
12 15 22 C3 C3 C3 120.001
12 15 27 C3 C3 HC 179.974
24 12 15 HC C3 C3 59.995
12 15 22 C3 C3 C3 120.001
12 15 27 C3 C3 HC 179.974
13 12 24 C3 C3 HC 179.974
15 12 24 C3 C3 HC 59.995
25 13 19 HC C3 C3 179.974
13 19 21 C3 C3 C3 120.001
13 19 32 C3 C3 HC 179.974
19 13 25 C3 C3 HC 179.974
26 14 16 HC C3 C3 60.003
14 16 17 C3 C3 C3 120.001
14 16 28 C3 C3 HC 60.003
16 14 26 C3 C3 HC 60.003
27 15 22 HC C3 C3 60.001
15 22 34 C3 C3 HC 160.002
15 22 35 C3 C3 HC 80.000
22 15 27 C3 C3 HC 60.001
28 16 17 HC C3 C3 179.974
16 17 18 C3 C3 C3 119.999
16 17 29 C3 C3 HC 60.001
17 16 28 C3 C3 HC 179.974
29 17 18 HC C3 C3 179.974
17 18 20 C3 C3 C3 120.001
17 18 30 C3 C3 HC 59.999
18 17 29 C3 C3 HC 179.974
30 18 20 HC C3 C3 179.974
18 20 23 C3 C3 C3 120.001
18 20 31 C3 C3 HC 179.974
20 18 30 C3 C3 HC 179.974
32 19 21 HC C3 C3 59.999
19 21 33 C3 C3 HC 179.974
21 19 32 C3 C3 HC 59.999
31 20 23 HC C3 C3 59.999
20 23 36 C3 C3 HC 80.000
20 23 37 C3 C3 HC 160.009
23 20 31 C3 C3 HC 59.999
35 22 34 HC C3 HC 80.002
34 22 35 HC C3 HC 80.002
37 23 36 HC C3 HC 80.009
36 23 37 HC C3 HC 80.009
TORSION ANGLES
14 1 12 13 179.974
14 1 12 15 0.026
14 1 12 24 0.026
12 1 14 2 0.026
12 1 14 16 179.974
12 1 14 26 179.974
20 2 14 1 179.974
20 2 14 16 0.026
20 2 14 26 179.974
14 2 20 18 0.026
14 2 20 23 179.974
14 2 20 31 179.974
21 3 15 12 0.026
21 3 15 22 179.974
21 3 15 27 179.974
15 3 21 9 179.974
15 3 21 19 0.026
15 3 21 33 179.974
38 4 13 12 179.974
38 4 13 19 0.026
38 4 13 25 179.974
39 5 16 14 179.974
39 5 16 17 0.026
39 5 16 28 179.974
40 6 17 16 179.974
40 6 17 18 0.026
40 6 17 29 179.974
41 7 18 17 0.026
41 7 18 20 179.974
41 7 18 30 0.026
42 8 19 13 179.974
42 8 19 21 0.026
42 8 19 32 0.026
43 9 21 3 0.026
43 9 21 19 179.974
43 9 21 33 0.026
44 10 22 15 0.026
44 10 22 34 179.974
44 10 22 35 179.974
45 11 23 20 179.974
45 11 23 36 0.026
45 11 23 37 0.026
1 12 13 4 0.026
1 12 13 19 179.974
1 12 13 25 0.026
15 12 13 4 179.974
15 12 13 19 0.026
15 12 13 25 179.974
24 12 13 4 179.974
24 12 13 19 0.026
24 12 13 25 179.974
1 12 15 3 179.974
1 12 15 22 0.026
1 12 15 27 179.974
13 12 15 3 0.026
13 12 15 22 179.974
13 12 15 27 0.026
24 12 15 3 179.974
24 12 15 22 0.026
24 12 15 27 179.974
4 13 19 8 0.026
4 13 19 21 179.974
4 13 19 32 180.000
12 13 19 8 179.974
12 13 19 21 0.026
12 13 19 32 180.000
25 13 19 8 180.000
25 13 19 21 180.000
25 13 19 32 180.000
1 14 16 5 0.026
1 14 16 17 179.974
1 14 16 28 0.026
2 14 16 5 179.974
2 14 16 17 0.026
2 14 16 28 179.974
26 14 16 5 0.026
26 14 16 17 179.974
26 14 16 28 0.026
3 15 22 10 0.026
3 15 22 34 179.974
3 15 22 35 179.974
12 15 22 10 179.974
12 15 22 34 0.026
12 15 22 35 0.026
27 15 22 10 0.026
27 15 22 34 179.974
27 15 22 35 179.974
5 16 17 6 0.026
5 16 17 18 179.974
5 16 17 29 0.026
14 16 17 6 179.974
14 16 17 18 0.026
14 16 17 29 179.974
28 16 17 6 0.026
28 16 17 18 179.974
28 16 17 29 0.026
6 17 18 7 0.026
6 17 18 20 179.974
6 17 18 30 0.026
16 17 18 7 179.974
16 17 18 20 0.026
16 17 18 30 179.974
29 17 18 7 179.974
29 17 18 20 0.026
29 17 18 30 179.974
7 18 20 2 179.974
7 18 20 23 0.026
7 18 20 31 180.000
17 18 20 2 0.026
17 18 20 23 179.974
17 18 20 31 180.000
30 18 20 2 180.000
30 18 20 23 180.000
30 18 20 31 180.000
8 19 21 3 179.974
8 19 21 9 0.026
8 19 21 33 179.974
13 19 21 3 0.026
13 19 21 9 179.974
13 19 21 33 0.026
32 19 21 3 179.974
32 19 21 9 0.026
32 19 21 33 179.974
2 20 23 11 179.974
2 20 23 36 0.026
2 20 23 37 0.026
18 20 23 11 0.026
18 20 23 36 179.974
18 20 23 37 179.974
31 20 23 11 179.974
31 20 23 36 0.026
31 20 23 37 0.026
CHIRAL ATOMS
C 12 is chiral: counterclockwise
C 13 is chiral: counterclockwise
C 14 is chiral: counterclockwise
C 15 is chiral: counterclockwise
C 16 is chiral: counterclockwise
C 17 is chiral: counterclockwise
C 18 is chiral: counterclockwise
C 19 is chiral: counterclockwise
C 20 is chiral: counterclockwise
C 21 is chiral: counterclockwise
|