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Zinc L-lactate |
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ID: API-28946 CAS:103404-76-8 Supplier:APIchem SMILES:[Zn].OC(=O)C(O)C.OC(=O)C(O)C ChemMol.com FORMULA: C6H12O6Zn
MASS: 245.5359
EXACT MASS: 243.9925301
INTERATOMIC DISTANCES
Zn 1 O 2 O 3 O 4 O 5 O 6
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Zn 1 0.0000
O 2 1.0001 0.0000
O 3 1.0000 1.7321 0.0000
O 4 3.4641 2.6457 4.3589 0.0000
O 5 3.4641 4.3590 2.6458 6.9282 0.0000
O 6 2.0000 1.7320 3.0000 2.0000 5.2915 0.0000
O 7 2.0000 3.0000 1.7320 5.2915 2.0000 3.4641
C 8 2.6458 1.7320 3.4641 1.0000 6.0828 1.7320
C 9 2.6457 3.4641 1.7320 6.0827 1.0001 4.5826
C 10 2.9999 3.6055 2.0000 6.2449 1.7321 5.0000
C 11 3.0000 2.0000 3.6055 1.7320 6.2450 2.6457
C 12 1.7320 2.6458 1.0000 5.1961 1.7321 3.6055
C 13 1.7321 1.0000 2.6458 1.7320 5.1962 1.0000
H 14 2.6009 1.8396 3.5191 0.8743 6.0634 1.2346
H 15 2.6008 3.5191 1.8396 6.0633 0.8744 4.4186
H 16 3.5505 2.5558 4.2047 1.5200 6.8485 2.9083
H 17 3.3533 2.3715 3.8242 2.2901 6.4222 3.2380
H 18 2.4825 1.4955 3.0148 2.1114 5.6451 2.5121
H 19 2.4824 3.0148 1.4955 5.6450 2.1115 4.4738
H 20 3.3532 3.8242 2.3715 6.4221 2.2901 5.3371
H 21 3.5504 4.2047 2.5558 6.8484 1.5201 5.5456
H 22 1.4158 0.6200 1.8397 2.8291 4.4727 2.2901
H 23 1.4158 1.8397 0.6200 4.4726 2.8292 3.3533
H 24 4.0131 3.1408 4.8708 0.6201 7.4716 2.6200
H 25 4.0130 4.8708 3.1408 7.4715 0.6200 5.8809
O 7 C 8 C 9 C 10 C 11 C 12
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O 7 0.0000
C 8 4.5826 0.0000
C 9 1.7320 5.1961 0.0000
C 10 2.6457 5.2915 1.0000 0.0000
C 11 5.0000 1.0000 5.2915 5.1961 0.0000
C 12 1.0000 4.3589 1.0000 1.7320 4.5826 0.0000
C 13 3.6055 1.0000 4.3589 4.5826 1.7320 3.4641
H 14 4.4186 0.6200 5.2330 5.4428 1.6200 4.3318
H 15 1.2346 5.2330 0.6200 1.6200 5.4428 0.8743
H 16 5.5456 1.1766 5.9014 5.8161 0.6200 5.1724
H 17 5.3371 1.6200 5.4428 5.2330 0.6200 4.8212
H 18 4.4738 1.1766 4.6841 4.5761 0.6200 4.0019
H 19 2.5121 4.6841 1.1766 0.6200 4.5761 1.5200
H 20 3.2380 5.4428 1.6200 0.6200 5.2330 2.2901
H 21 2.9083 5.9014 1.1766 0.6200 5.8161 2.1114
H 22 3.3533 1.8396 3.5191 3.4849 1.7732 2.8292
H 23 2.2901 3.5191 1.8396 1.7732 3.4849 1.4158
H 24 5.8809 1.4158 6.6018 6.7055 1.8397 5.7415
H 25 2.6200 6.6018 1.4158 1.8397 6.7055 2.2901
C 13 H 14 H 15 H 16 H 17 H 18
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C 13 0.0000
H 14 0.8743 0.0000
H 15 4.3318 5.1961 0.0000
H 16 2.1114 1.7346 6.0375 0.0000
H 17 2.2901 2.2400 5.6584 0.8768 0.0000
H 18 1.5200 1.7346 4.8544 1.2400 0.8768 0.0000
H 19 4.0019 4.8544 1.7346 5.1961 4.6179 3.9561
H 20 4.8212 5.6584 2.2400 5.8491 5.1961 4.6179
H 21 5.1724 6.0375 1.7346 6.4361 5.8491 5.1961
H 22 1.4158 2.1301 3.6793 2.3825 2.0000 1.1751
H 23 2.8292 3.6793 2.1301 4.1017 3.6055 2.8694
H 24 2.2901 1.4674 6.6131 1.4245 2.2901 2.3470
H 25 5.7415 6.6131 1.4674 7.3165 6.8428 6.0964
H 19 H 20 H 21 H 22 H 23 H 24
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H 19 0.0000
H 20 0.8768 0.0000
H 21 1.2400 0.8768 0.0000
H 22 2.8694 3.6055 4.1017 0.0000
H 23 1.1751 2.0000 2.3825 1.7321 0.0000
H 24 6.0964 6.8428 7.3165 3.2380 4.9340 0.0000
H 25 2.3470 2.2901 1.4245 4.9340 3.2380 8.0021
H 25
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H 25 0.0000
ATOMIC CHARGES
Zn 1 0.0000000000
O 2 0.0000000000
O 3 0.0000000000
O 4 0.0000000000
O 5 0.0000000000
O 6 0.0000000000
O 7 0.0000000000
C 8 0.0000000000
C 9 0.0000000000
C 10 0.0000000000
C 11 0.0000000000
C 12 0.0000000000
C 13 0.0000000000
H 14 0.0000000000
H 15 0.0000000000
H 16 0.0000000000
H 17 0.0000000000
H 18 0.0000000000
H 19 0.0000000000
H 20 0.0000000000
H 21 0.0000000000
H 22 0.0000000000
H 23 0.0000000000
H 24 0.0000000000
H 25 0.0000000000
BOND ANGLES
22 2 13 HO O3 C2 120.001
13 2 22 C2 O3 HO 120.001
23 3 12 HO O3 C2 120.001
12 3 23 C2 O3 HO 120.001
24 4 8 HO O3 C3 120.002
4 8 11 O3 C3 C3 120.001
4 8 13 O3 C3 C2 119.999
4 8 14 O3 C3 HC 59.999
8 4 24 C3 O3 HO 120.002
25 5 9 HO O3 C3 120.000
5 9 10 O3 C3 C3 119.998
5 9 12 O3 C3 C2 120.001
5 9 15 O3 C3 HC 60.002
9 5 25 C3 O3 HO 120.000
13 8 11 C2 C3 C3 120.001
8 11 16 C3 C3 HC 90.000
8 11 17 C3 C3 HC 179.974
8 11 18 C3 C3 HC 90.000
14 8 11 HC C3 C3 179.974
8 11 16 C3 C3 HC 90.000
8 11 17 C3 C3 HC 179.974
8 11 18 C3 C3 HC 90.000
11 8 13 C3 C3 C2 120.001
14 8 13 HC C3 C2 59.999
11 8 14 C3 C3 HC 179.974
13 8 14 C2 C3 HC 59.999
12 9 10 C2 C3 C3 120.001
9 10 19 C3 C3 HC 90.000
9 10 20 C3 C3 HC 179.974
9 10 21 C3 C3 HC 90.000
15 9 10 HC C3 C3 179.974
9 10 19 C3 C3 HC 90.000
9 10 20 C3 C3 HC 179.974
9 10 21 C3 C3 HC 90.000
10 9 12 C3 C3 C2 120.001
15 9 12 HC C3 C2 59.999
10 9 15 C3 C3 HC 179.974
12 9 15 C2 C3 HC 59.999
20 10 19 HC C3 HC 90.000
21 10 19 HC C3 HC 179.974
19 10 20 HC C3 HC 90.000
21 10 20 HC C3 HC 90.000
19 10 21 HC C3 HC 179.974
20 10 21 HC C3 HC 90.000
17 11 16 HC C3 HC 90.000
18 11 16 HC C3 HC 179.974
16 11 17 HC C3 HC 90.000
18 11 17 HC C3 HC 90.000
16 11 18 HC C3 HC 179.974
17 11 18 HC C3 HC 90.000
TORSION ANGLES
22 2 13 6 179.974
22 2 13 8 0.026
23 3 12 7 179.974
23 3 12 9 0.026
24 4 8 11 0.026
24 4 8 13 179.974
24 4 8 14 179.974
25 5 9 10 0.026
25 5 9 12 179.974
25 5 9 15 179.974
4 8 11 16 0.026
4 8 11 17 180.000
4 8 11 18 179.974
13 8 11 16 179.974
13 8 11 17 180.000
13 8 11 18 0.026
14 8 11 16 180.000
14 8 11 17 180.000
14 8 11 18 180.000
4 8 13 2 179.974
4 8 13 6 0.026
11 8 13 2 0.026
11 8 13 6 179.974
14 8 13 2 179.974
14 8 13 6 0.026
5 9 10 19 179.974
5 9 10 20 180.000
5 9 10 21 0.026
12 9 10 19 0.026
12 9 10 20 180.000
12 9 10 21 179.974
15 9 10 19 180.000
15 9 10 20 180.000
15 9 10 21 180.000
5 9 12 3 179.974
5 9 12 7 0.026
10 9 12 3 0.026
10 9 12 7 179.974
15 9 12 3 179.974
15 9 12 7 0.026
CHIRAL ATOMS
C 8 is chiral: counterclockwise
C 9 is chiral: counterclockwise
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