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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 现货商城 点击进入 中文名称:维生素B12
英文名称:Methylcobalamin
CAS No.: 68-19-9 分子式:C63H92CoN13O14P 分子量:1345.3903
了解价格行情:维生素B12价格
更多厂家:维生素B12厂家
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
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 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
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 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
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 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
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 58 59  1  0  0  0  0
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 58 63  1  6  0  0  0
 58 64  1  0  0  0  0
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 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
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 83 84  1  0  0  0  0
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 80 86  1  0  0  0  0
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 87 88  1  0  0  0  0
 88 89  2  0  0  0  0
 89 10  1  0  0  0  0
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 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+2].P(=O)(O[H])(O[C@]1([H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])([C@]1([H])O[H])N1C([H])=NC2C([H])=C(C([H])([H])[H])C(C([H])([H])[H])=C([H])C1=2)OC([H])(C([H])([H])[H])C([H])([H])N([H])C(C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])C2C(C([H])([H])[H])=C3[C@@]([H])(C([H])([H])C([H])([H])C(N([H])[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C(C([H])=C4[C@@]([H])(C([H])([H])C([H])([H])C(N([H])[H])=O)[C@](C([H])([H])[H])(C([H])([H])C(N([H])[H])=O)C(C(C([H])([H])[H])=C5[C@@]([H])(C([H])([H])C([H])([H])C(N([H])[H])=O)[C@](C([H])([H])[H])(C([H])([H])C(N([H])[H])=O)[C@](C([H])([H])[H])([C@@]([H])([C@]1([H])C([H])([H])C(N([H])[H])=O)N=2)[N-]5)=N4)=N3)=O.[C-]([H])([H])[H] |t:73,99,132|

维生素B12 InChi 编码: 1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;-1;+2/p-1/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1

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