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维生素B12结构式

维生素B12结构式图片|68-19-9结构式图片 查看维生素B12大图 中文名称:维生素B12
英文名称:Cyanocobalamin
CAS No.:68-19-9
分子式: C63H88CoN14O14P
分子量:1355.38
如需查看该化合物的详细物理属性、别名、危化属性、合成路线等,可点击:68-19-9

维生素B12 数据

Mol:

   16.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1423   15.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5766   15.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6927   13.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1270   13.9560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3744   12.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4515   17.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4515   19.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0919   20.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8112   20.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8332   21.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7118   22.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4143   21.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   19.9348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   22.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5357   20.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6182   22.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9365   24.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3709   24.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6891   25.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5731   26.9643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1235   25.7836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1709   22.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7455   24.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3155   24.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8902   22.4886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8785   24.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447   25.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7077   25.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8112   21.7036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8112   16.9936    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  3  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 28 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 33 34  1  6  0  0  0
 34 35  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 44 37  2  0  0  0  0
 38 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 36  1  0  0  0  0
 14 47  1  1  0  0  0
 14 48  1  0  0  0  0
 48 49  1  1  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  2  0  0  0  0
 48 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 13  2  0  0  0  0
 53 55  1  1  0  0  0
 53 56  1  0  0  0  0
 56 57  1  6  0  0  0
 56 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 60 62  2  0  0  0  0
 58 63  1  6  0  0  0
 58 64  1  0  0  0  0
 64 65  1  6  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
 67 69  2  0  0  0  0
 64 70  1  0  0  0  0
 70 71  2  0  0  0  0
 71 72  1  0  0  0  0
 71 73  1  0  0  0  0
 73 74  1  0  0  0  0
 74 75  1  0  0  0  0
 75 76  1  0  0  0  0
 76 77  1  0  0  0  0
 76 78  2  0  0  0  0
 74 79  1  6  0  0  0
 74 80  1  0  0  0  0
 80 81  1  6  0  0  0
 81 82  1  0  0  0  0
 82 83  1  0  0  0  0
 83 84  1  0  0  0  0
 83 85  2  0  0  0  0
 80 86  1  0  0  0  0
 86 87  2  0  0  0  0
 87 88  1  0  0  0  0
 88 89  2  0  0  0  0
 89 10  1  0  0  0  0
 88 90  1  0  0  0  0
 90  9  1  0  0  0  0
 90 91  1  0  0  0  0
 90 92  1  0  0  0  0
 86 93  1  0  0  0  0
 93 73  2  0  0  0  0
 70 94  1  0  0  0  0
 94 56  1  0  0  0  0
M  CHG  1   1   3
M  CHG  1   2  -1
M  CHG  1  25  -1
M  CHG  1  94  -1
M  END

                
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维生素B12 Smile 编码: [Co+3].[C-]#N.NC(=O)CC[C@@H]1\C2=C(/C)C3[C@@](CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]4[C@H](O)C(O[C@@H]4CO)N5C6C(=CC(C)=C(C)C=6)N=C5)(C)[C@H](CC(N)=O)[C@](N=3)([H])[C@@]7(C)[C@](CC(N)=O)(C)[C@H](CCC(N)=O)\C(=C(/C)C8[C@](CC(N)=O)(C)[C@H](CCC(N)=O)\C(=C\C(=N2)C1(C)C)N=8)[N-]7

维生素B12 InChi 编码:

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