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L-Mannose, 6-deoxy- |
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ID: API-15094 CAS:3615-41-6 Supplier:APIchem SMILES:O[C@H]([C@@H](O)[C@@H](O)C=O)[C@@H](O)C ChemMol.com FORMULA: C6H12O5
MASS: 164.1565
EXACT MASS: 164.0684735
INTERATOMIC DISTANCES
O 1 O 2 O 3 O 4 O 5 C 6
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O 1 0.0000
O 2 2.6457 0.0000
O 3 2.0000 3.0000 0.0000
O 4 1.7321 2.6458 3.6056 0.0000
O 5 3.6055 3.0000 5.1962 2.0000 0.0000
C 6 1.0000 1.7320 1.7321 2.0000 3.4641 0.0000
C 7 1.7320 1.0000 2.6458 1.7321 2.6458 1.0000
C 8 1.7320 2.0000 1.0001 3.0000 4.3589 1.0000
C 9 2.0000 1.7321 3.4642 1.0000 1.7320 1.7321
C 10 2.6457 1.7320 1.7321 3.6056 4.5826 1.7320
C 11 3.0000 2.0000 4.3590 1.7320 1.0000 2.6458
H 12 0.8743 2.2900 1.2347 2.3716 4.0130 0.6200
H 13 1.8397 0.8743 2.2146 2.2901 3.2380 0.8743
H 14 2.2901 2.3716 0.8743 3.6201 4.9340 1.6200
H 15 1.3800 1.8397 2.9436 0.8743 2.2901 1.2347
H 16 2.5121 1.1120 2.1115 3.1879 4.0019 1.5200
H 17 3.2380 1.8396 2.2901 4.0601 4.8212 2.2901
H 18 2.9083 2.3520 1.5201 4.0751 5.1724 2.1114
H 19 0.6200 3.1407 1.7733 2.2901 4.2100 1.4158
H 20 3.1408 0.6201 3.6201 2.8292 2.7430 2.2901
H 21 3.3533 1.7733 4.4727 2.2901 1.4158 2.8292
H 22 2.6200 3.3533 0.6200 4.2101 5.7415 2.2901
H 23 2.2901 3.1408 4.2101 0.6200 1.7732 2.6200
C 7 C 8 C 9 C 10 C 11 H 12
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C 7 0.0000
C 8 1.7320 0.0000
C 9 1.0001 2.6458 0.0000
C 10 2.0000 1.0000 3.0000 0.0000
C 11 1.7321 3.4641 1.0000 3.6055 0.0000
H 12 1.6199 0.8743 2.2901 1.8397 3.2380 0.0000
H 13 0.6200 1.2347 1.6200 1.3800 2.2901 1.4158
H 14 2.2901 0.6201 3.2380 0.8743 4.0131 1.4158
H 15 0.8743 2.2146 0.6201 2.7430 1.6200 1.7320
H 16 1.4955 1.1766 2.4825 0.6200 3.0148 1.8332
H 17 2.3715 1.6200 3.3533 0.6200 3.8242 2.4522
H 18 2.5558 1.1766 3.5505 0.6200 4.2047 2.0437
H 19 2.2900 1.8397 2.6200 2.8292 3.6200 1.0000
H 20 1.4158 2.6200 1.8397 2.2901 1.7732 2.8736
H 21 1.8397 3.5191 1.4158 3.4849 0.6200 3.4457
H 22 3.1408 1.4158 4.0131 1.8397 4.8708 1.8397
H 23 2.2901 3.6200 1.4158 4.2100 1.8397 2.9788
H 13 H 14 H 15 H 16 H 17 H 18
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H 13 0.0000
H 14 1.7321 0.0000
H 15 1.4158 2.8292 0.0000
H 16 0.8982 1.3471 2.3136 0.0000
H 17 1.7732 1.4158 3.1864 0.8768 0.0000
H 18 1.9418 0.6950 3.2349 1.2400 0.8768 0.0000
H 19 2.2901 2.2901 2.0000 2.8250 3.4458 2.9660
H 20 1.4674 2.9789 2.1302 1.6779 2.2901 2.9056
H 21 2.2901 4.0131 2.0033 2.8694 3.6055 4.1017
H 22 2.6458 1.0000 3.5191 2.3470 2.2901 1.4245
H 23 2.8736 4.2400 1.4674 3.7711 4.6468 4.6900
H 19 H 20 H 21 H 22 H 23
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H 19 0.0000
H 20 3.6739 0.0000
H 21 3.9665 1.3800 0.0000
H 22 2.3716 3.9666 4.9340 0.0000
H 23 2.8059 3.2380 2.4522 4.8185 0.0000
ATOMIC CHARGES
O 1 -0.3865790315
O 2 -0.3861449834
O 3 -0.3894222753
O 4 -0.3819009066
O 5 -0.2981995526
C 6 0.1093588082
C 7 0.1157898535
C 8 0.0807886642
C 9 0.1381434895
C 10 -0.0364234870
C 11 0.1512095486
H 12 0.0645843875
H 13 0.0650199371
H 14 0.0616997879
H 15 0.0696835524
H 16 0.0255266933
H 17 0.0255266933
H 18 0.0255266933
H 19 0.2100020791
H 20 0.2100177826
H 21 0.1054605073
H 22 0.2098773733
H 23 0.2104543852
BOND ANGLES
7 6 1 C3 C3 O3 120.001
6 1 19 C3 O3 HO 120.002
8 6 1 C3 C3 O3 120.001
6 1 19 C3 O3 HO 120.002
12 6 1 HC C3 O3 59.998
6 1 19 C3 O3 HO 120.002
9 7 2 C3 C3 O3 119.998
7 2 20 C3 O3 HO 119.997
13 7 2 HC C3 O3 59.998
7 2 20 C3 O3 HO 119.997
10 8 3 C3 C3 O3 119.998
8 3 22 C3 O3 HO 120.000
14 8 3 HC C3 O3 59.995
8 3 22 C3 O3 HO 120.000
11 9 4 C2 C3 O3 120.001
9 4 23 C3 O3 HO 120.002
15 9 4 HC C3 O3 60.003
9 4 23 C3 O3 HO 120.002
1 6 7 O3 C3 C3 120.001
6 7 2 C3 C3 O3 120.001
6 7 9 C3 C3 C3 120.001
6 7 13 C3 C3 HC 60.002
8 6 7 C3 C3 C3 119.999
6 7 2 C3 C3 O3 120.001
6 7 9 C3 C3 C3 120.001
6 7 13 C3 C3 HC 60.002
12 6 7 HC C3 C3 179.974
6 7 2 C3 C3 O3 120.001
6 7 9 C3 C3 C3 120.001
6 7 13 C3 C3 HC 60.002
1 6 8 O3 C3 C3 120.001
6 8 3 C3 C3 O3 120.001
6 8 10 C3 C3 C3 120.001
6 8 14 C3 C3 HC 179.974
7 6 8 C3 C3 C3 119.999
6 8 3 C3 C3 O3 120.001
6 8 10 C3 C3 C3 120.001
6 8 14 C3 C3 HC 179.974
12 6 8 HC C3 C3 60.002
6 8 3 C3 C3 O3 120.001
6 8 10 C3 C3 C3 120.001
6 8 14 C3 C3 HC 179.974
1 6 12 O3 C3 HC 59.998
7 6 12 C3 C3 HC 179.974
8 6 12 C3 C3 HC 60.002
2 7 9 O3 C3 C3 119.998
7 9 4 C3 C3 O3 119.998
7 9 11 C3 C3 C2 120.001
7 9 15 C3 C3 HC 59.995
13 7 9 HC C3 C3 179.974
7 9 4 C3 C3 O3 119.998
7 9 11 C3 C3 C2 120.001
7 9 15 C3 C3 HC 59.995
2 7 13 O3 C3 HC 59.998
9 7 13 C3 C3 HC 179.974
3 8 10 O3 C3 C3 119.998
8 10 16 C3 C3 HC 90.000
8 10 17 C3 C3 HC 179.974
8 10 18 C3 C3 HC 90.000
14 8 10 HC C3 C3 60.003
8 10 16 C3 C3 HC 90.000
8 10 17 C3 C3 HC 179.974
8 10 18 C3 C3 HC 90.000
3 8 14 O3 C3 HC 59.995
10 8 14 C3 C3 HC 60.003
4 9 11 O3 C3 C2 120.001
9 11 21 C3 C2 HC 120.001
15 9 11 HC C3 C2 179.974
9 11 21 C3 C2 HC 120.001
4 9 15 O3 C3 HC 60.003
11 9 15 C2 C3 HC 179.974
17 10 16 HC C3 HC 90.000
18 10 16 HC C3 HC 179.974
16 10 17 HC C3 HC 90.000
18 10 17 HC C3 HC 90.000
16 10 18 HC C3 HC 179.974
17 10 18 HC C3 HC 90.000
TORSION ANGLES
7 6 1 19 179.974
8 6 1 19 0.026
12 6 1 19 0.026
6 7 2 20 179.974
9 7 2 20 0.026
13 7 2 20 179.974
6 8 3 22 179.974
10 8 3 22 0.026
14 8 3 22 0.026
7 9 4 23 179.974
11 9 4 23 0.026
15 9 4 23 179.974
1 6 7 2 179.974
1 6 7 9 0.026
1 6 7 13 179.974
8 6 7 2 0.026
8 6 7 9 179.974
8 6 7 13 0.026
12 6 7 2 179.974
12 6 7 9 0.026
12 6 7 13 179.974
1 6 8 3 0.026
1 6 8 10 179.974
1 6 8 14 0.026
7 6 8 3 179.974
7 6 8 10 0.026
7 6 8 14 179.974
12 6 8 3 0.026
12 6 8 10 179.974
12 6 8 14 0.026
2 7 9 4 179.974
2 7 9 11 0.026
2 7 9 15 179.974
6 7 9 4 0.026
6 7 9 11 179.974
6 7 9 15 0.026
13 7 9 4 179.974
13 7 9 11 0.026
13 7 9 15 179.974
3 8 10 16 179.974
3 8 10 17 180.000
3 8 10 18 0.026
6 8 10 16 0.026
6 8 10 17 180.000
6 8 10 18 179.974
14 8 10 16 179.974
14 8 10 17 180.000
14 8 10 18 0.026
4 9 11 5 0.026
4 9 11 21 179.974
7 9 11 5 179.974
7 9 11 21 0.026
15 9 11 5 179.974
15 9 11 21 0.026
CHIRAL ATOMS
C 6 is chiral: counterclockwise
C 7 is chiral: counterclockwise
C 8 is chiral: counterclockwise
C 9 is chiral: counterclockwise
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