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D-Lysine |
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ID: API-42810 CAS:923-27-3 Supplier:APIchem SMILES:OC(=O)[C@H](N)CCCCN ChemMol.com FORMULA: C6H14N2O2
MASS: 146.1876
EXACT MASS: 146.1055277
INTERATOMIC DISTANCES
O 1 O 2 N 3 N 4 C 5 C 6
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O 1 0.0000
O 2 1.7320 0.0000
N 3 2.6457 2.0000 0.0000
N 4 5.2915 6.0828 4.5826 0.0000
C 5 2.9999 3.4641 2.0000 2.6458 0.0000
C 6 2.0000 2.6457 1.7320 3.4641 1.0000 0.0000
C 7 3.6055 4.3589 3.0000 1.7321 1.0000 1.7320
C 8 1.7320 1.7320 1.0000 4.3589 1.7320 1.0000
C 9 4.5826 5.1962 3.6056 1.0000 1.7321 2.6458
C 10 1.0000 1.0000 1.7320 5.1962 2.6457 1.7320
H 11 2.9561 3.1022 1.4332 3.1512 0.6200 1.0813
H 12 3.5888 3.8917 2.1944 2.4059 0.6200 1.5968
H 13 2.1943 3.1512 2.3451 3.1022 1.0812 0.6200
H 14 1.4331 2.4059 2.0295 3.8918 1.5968 0.6200
H 15 3.8981 4.8281 3.5889 1.4156 1.5967 2.1829
H 16 3.1102 4.0506 2.9560 2.1829 1.0812 1.4155
H 17 1.8396 1.2346 0.8743 4.9340 2.2901 1.6200
H 18 4.3997 4.8211 3.1102 1.5967 1.4156 2.4059
H 19 5.1245 5.6148 3.8982 1.0812 2.1829 3.1512
H 20 3.1408 2.6200 0.6201 4.2029 1.7733 1.8397
H 21 2.8291 1.7732 0.6200 5.1927 2.6200 2.2901
H 22 5.8808 6.6018 5.0104 0.6200 3.1408 4.0130
H 23 5.2100 6.1648 4.8212 0.6201 2.8292 3.5191
H 24 0.6201 1.8397 3.1408 5.8809 3.6200 2.6200
C 7 C 8 C 9 C 10 H 11 H 12
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C 7 0.0000
C 8 2.6457 0.0000
C 9 1.0001 3.4641 0.0000
C 10 3.4641 1.0000 4.3589 0.0000
H 11 1.5967 1.4156 2.1829 2.4059 0.0000
H 12 1.0812 2.1829 1.4155 3.1512 0.7971 0.0000
H 13 1.4155 1.5967 2.4059 2.1829 1.4515 1.6888
H 14 2.1829 1.0812 3.1513 1.4155 1.6889 2.2064
H 15 0.6200 3.1512 1.0813 3.8917 2.2063 1.6888
H 16 0.6199 2.4059 1.5968 3.1021 1.6888 1.4514
H 17 3.2380 0.6200 4.0131 0.8743 1.8777 2.6726
H 18 1.0813 3.1022 0.6200 4.0507 1.7320 0.9350
H 19 1.5968 3.8917 0.6199 4.8281 2.5291 1.7320
H 20 2.7431 1.4158 3.2069 2.2901 1.1541 1.7992
H 21 3.6200 1.4158 4.2101 1.8396 2.0484 2.7952
H 22 2.2901 4.8708 1.4158 5.7415 3.5955 2.8161
H 23 1.8397 4.4726 1.4158 5.2330 3.3946 2.7169
H 24 4.2100 2.2901 5.1928 1.4158 3.5651 4.2080
H 13 H 14 H 15 H 16 H 17 H 18
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H 13 0.0000
H 14 0.7971 0.0000
H 15 1.7320 2.5292 0.0000
H 16 0.9350 1.7321 0.7971 0.0000
H 17 2.2128 1.6309 3.7599 3.0231 0.0000
H 18 2.3121 2.9753 1.4515 1.6888 3.6063 0.0000
H 19 2.9752 3.6918 1.6888 2.2063 4.4027 0.7971
H 20 2.3980 2.2860 3.3572 2.8258 1.4674 2.6630
H 21 2.9097 2.4959 4.2079 3.5650 1.0000 3.6980
H 22 3.6870 4.4691 2.0285 2.7806 5.4271 1.9203
H 23 3.0690 3.8654 1.3414 2.1355 5.0728 2.0354
H 24 2.7952 2.0484 4.4781 3.6980 2.2901 5.0189
H 19 H 20 H 21 H 22 H 23 H 24
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H 19 0.0000
H 20 3.4289 0.0000
H 21 4.4781 1.0739 0.0000
H 22 1.2046 4.5826 5.6083 0.0000
H 23 1.6620 4.5048 5.4400 1.0739 0.0000
H 24 5.7400 3.6740 3.2380 6.4759 5.7745 0.0000
ATOMIC CHARGES
O 1 -0.4795343385
O 2 -0.2492542541
N 3 -0.3184009102
N 4 -0.3299786129
C 5 -0.0499935837
C 6 -0.0273313909
C 7 -0.0405872132
C 8 0.1032425869
C 9 -0.0069039860
C 10 0.3217129713
H 11 0.0266284591
H 12 0.0266284591
H 13 0.0285505965
H 14 0.0285505965
H 15 0.0277426165
H 16 0.0277426165
H 17 0.0573862113
H 18 0.0421794452
H 19 0.0421794452
H 20 0.1189553102
H 21 0.1189553102
H 22 0.1182132320
H 23 0.1182132320
H 24 0.2951032010
BOND ANGLES
24 1 10 HO O3 C2 120.002
10 1 24 C2 O3 HO 120.002
10 8 3 C2 C3 N3 119.999
8 3 20 C3 N3 HC 120.002
8 3 21 C3 N3 HC 120.001
17 8 3 HC C3 N3 59.999
8 3 20 C3 N3 HC 120.002
8 3 21 C3 N3 HC 120.001
21 3 20 HC N3 HC 119.997
20 3 21 HC N3 HC 119.997
22 4 9 HC N3 C3 120.002
4 9 18 N3 C3 HC 160.004
4 9 19 N3 C3 HC 79.995
23 4 9 HC N3 C3 119.997
4 9 18 N3 C3 HC 160.004
4 9 19 N3 C3 HC 79.995
9 4 22 C3 N3 HC 120.002
23 4 22 HC N3 HC 120.001
9 4 23 C3 N3 HC 119.997
22 4 23 HC N3 HC 120.001
7 5 6 C3 C3 C3 120.001
5 6 8 C3 C3 C3 120.001
5 6 13 C3 C3 HC 79.995
5 6 14 C3 C3 HC 160.002
11 5 6 HC C3 C3 80.004
5 6 8 C3 C3 C3 120.001
5 6 13 C3 C3 HC 79.995
5 6 14 C3 C3 HC 160.002
12 5 6 HC C3 C3 160.002
5 6 8 C3 C3 C3 120.001
5 6 13 C3 C3 HC 79.995
5 6 14 C3 C3 HC 160.002
6 5 7 C3 C3 C3 120.001
5 7 9 C3 C3 C3 119.998
5 7 15 C3 C3 HC 160.004
5 7 16 C3 C3 HC 79.995
11 5 7 HC C3 C3 159.996
5 7 9 C3 C3 C3 119.998
5 7 15 C3 C3 HC 160.004
5 7 16 C3 C3 HC 79.995
12 5 7 HC C3 C3 79.997
5 7 9 C3 C3 C3 119.998
5 7 15 C3 C3 HC 160.004
5 7 16 C3 C3 HC 79.995
6 5 11 C3 C3 HC 80.004
7 5 11 C3 C3 HC 159.996
12 5 11 HC C3 HC 79.999
6 5 12 C3 C3 HC 160.002
7 5 12 C3 C3 HC 79.997
11 5 12 HC C3 HC 79.999
13 6 8 HC C3 C3 160.004
6 8 3 C3 C3 N3 120.001
6 8 10 C3 C3 C2 120.001
6 8 17 C3 C3 HC 179.974
14 6 8 HC C3 C3 79.997
6 8 3 C3 C3 N3 120.001
6 8 10 C3 C3 C2 120.001
6 8 17 C3 C3 HC 179.974
8 6 13 C3 C3 HC 160.004
14 6 13 HC C3 HC 80.007
8 6 14 C3 C3 HC 79.997
13 6 14 HC C3 HC 80.007
15 7 9 HC C3 C3 79.998
7 9 18 C3 C3 HC 79.998
7 9 19 C3 C3 HC 160.007
16 7 9 HC C3 C3 160.007
7 9 18 C3 C3 HC 79.998
7 9 19 C3 C3 HC 160.007
9 7 15 C3 C3 HC 79.998
16 7 15 HC C3 HC 80.009
9 7 16 C3 C3 HC 160.007
15 7 16 HC C3 HC 80.009
3 8 10 N3 C3 C2 119.999
17 8 10 HC C3 C2 59.999
3 8 17 N3 C3 HC 59.999
10 8 17 C2 C3 HC 59.999
19 9 18 HC C3 HC 80.009
18 9 19 HC C3 HC 80.009
TORSION ANGLES
24 1 10 2 0.026
24 1 10 8 179.974
6 8 3 20 0.026
6 8 3 21 179.974
10 8 3 20 179.974
10 8 3 21 0.026
17 8 3 20 179.974
17 8 3 21 0.026
22 4 9 7 179.974
22 4 9 18 0.026
22 4 9 19 0.026
23 4 9 7 0.026
23 4 9 18 179.974
23 4 9 19 179.974
7 5 6 8 179.974
7 5 6 13 0.026
7 5 6 14 0.026
11 5 6 8 0.026
11 5 6 13 179.974
11 5 6 14 179.974
12 5 6 8 0.026
12 5 6 13 179.974
12 5 6 14 179.974
6 5 7 9 179.974
6 5 7 15 0.026
6 5 7 16 0.026
11 5 7 9 0.026
11 5 7 15 179.974
11 5 7 16 179.974
12 5 7 9 0.026
12 5 7 15 179.974
12 5 7 16 179.974
5 6 8 3 0.026
5 6 8 10 179.974
5 6 8 17 180.000
13 6 8 3 179.974
13 6 8 10 0.026
13 6 8 17 180.000
14 6 8 3 179.974
14 6 8 10 0.026
14 6 8 17 180.000
5 7 9 4 179.974
5 7 9 18 0.026
5 7 9 19 0.026
15 7 9 4 0.026
15 7 9 18 179.974
15 7 9 19 179.974
16 7 9 4 0.026
16 7 9 18 179.974
16 7 9 19 179.974
3 8 10 1 179.974
3 8 10 2 0.026
6 8 10 1 0.026
6 8 10 2 179.974
17 8 10 1 179.974
17 8 10 2 0.026
CHIRAL ATOMS
C 8 is chiral: counterclockwise
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