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(S)-1-Boc-3-hydroxylpiperidine |
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ID: B187222 CAS:143900-44-1 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:C(=O)(N1C[C@@H](O)CCC1)OC(C)(C)C FORMULA: C10H19NO3
MASS: 201.2628
EXACT MASS: 201.1364935
INTERATOMIC DISTANCES
C 1 N 2 O 3 C 4 O 5 C 6
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C 1 0.0000
N 2 0.7447 0.0000
O 3 0.7411 1.2875 0.0000
C 4 1.2875 0.7411 1.9645 0.0000
O 5 0.7417 1.2864 1.2843 1.4859 0.0000
C 6 1.2875 1.9685 0.7447 2.5750 1.4859 0.0000
C 7 1.2935 0.7500 1.4900 1.2915 1.9713 2.2347
C 8 1.9727 1.2917 2.5792 0.7483 2.2342 3.2462
O 9 2.5750 1.9645 3.2380 1.2875 2.6797 3.8625
C 10 1.9673 1.2879 2.2291 1.4875 2.5743 2.9738
C 11 1.7835 2.3246 1.0572 3.0199 2.1654 0.7468
C 12 1.9735 2.6888 1.4951 3.2467 1.9719 0.7504
C 13 1.1155 1.8583 1.0481 2.2917 0.9180 0.7432
C 14 2.2383 1.4936 2.6860 1.2956 2.6875 3.4142
C 7 C 8 O 9 C 10 C 11 C 12
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C 7 0.0000
C 8 1.4936 0.0000
O 9 2.2311 0.7375 0.0000
C 10 0.7391 1.2921 1.9673 0.0000
C 11 2.3567 3.6105 4.2864 3.0677 0.0000
C 12 2.9851 3.9461 4.5281 3.7242 1.0572 0.0000
C 13 2.3526 3.0245 3.5460 3.0616 1.4900 1.0591
C 14 1.2917 0.7500 1.2894 0.7463 3.6312 4.1537
C 13 C 14
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C 13 0.0000
C 14 3.3510 0.0000
ATOMIC CHARGES
C 1 0.4047162382
N 2 -0.2434196226
O 3 -0.4417874222
C 4 0.1294571642
O 5 -0.2261960059
C 6 0.1378299108
C 7 0.0969037417
C 8 0.1718586763
O 9 -0.2213085855
C 10 0.0242817670
C 11 0.0437415187
C 12 0.0437415187
C 13 0.0437415187
C 14 0.0364395820
BOND ANGLES
9 8 4 O3 C3 C3 120.113
8 4 2 C3 C3 Nam 120.276
14 8 4 C3 C3 C3 119.703
8 4 2 C3 C3 Nam 120.276
4 8 9 C3 C3 O3 120.113
14 8 9 C3 C3 O3 120.184
4 8 14 C3 C3 C3 119.703
8 14 10 C3 C3 C3 119.430
9 8 14 O3 C3 C3 120.184
8 14 10 C3 C3 C3 119.430
TORSION ANGLES
4 2 1 3 179.974
4 2 1 5 0.026
7 2 1 3 0.026
7 2 1 5 179.974
6 3 1 2 179.974
6 3 1 5 0.026
8 4 2 1 179.974
8 4 2 7 0.026
11 6 3 1 179.974
12 6 3 1 0.026
13 6 3 1 0.026
10 7 2 1 179.974
10 7 2 4 0.026
9 8 4 2 179.974
14 8 4 2 0.026
14 10 7 2 0.026
8 14 10 7 0.026
4 8 14 10 0.026
9 8 14 10 179.974
CHIRAL ATOMS
N 2 is chiral: counterclockwise
C 6 is chiral: counterclockwise
C 8 is chiral: clockwise
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