正二十烷基磷酸胆碱-d42结构式

正二十烷基磷酸胆碱-d42
中文名称:正二十烷基磷酸胆碱-d42
英文名称:Tetradecylphosphocholine-D42
CAS No.:869638-98-2
分子式:C19H42NO4P 分子量:421.7736
正二十烷基磷酸胆碱-d42 数据
Mol:
00 H   1  0  0  0  0  0  0  0  0  0  0  0
    5.7550    0.1085    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.5150    0.1085    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    5.7550   -0.8915    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.5150   -0.8915    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    5.7550   -1.8915    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.5150   -1.8915    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    5.7550   -2.8915    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.5150   -2.8915    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    5.7550   -3.8915    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.5150   -3.8915    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    5.7550   -4.8915    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.5150   -4.8915    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    5.7550   -5.8915    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.5150   -5.8915    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    5.7550   -6.8915    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.5150   -6.8915    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -8.5115    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.5150   -7.8915    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    5.7550   -7.8915    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    8.2700    5.9185    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  8  1  0  0  0  0
  3 67  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 16  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 19  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 20  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 21  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 21 22  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 22 23  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 23 24  1  0  0  0  0
 23 60  1  0  0  0  0
 23 61  1  0  0  0  0
 24 25  1  0  0  0  0
 24 62  1  0  0  0  0
 24 63  1  0  0  0  0
 25 64  1  0  0  0  0
 25 65  1  0  0  0  0
 25 66  1  0  0  0  0
M  CHG  2   4  -1   6   1
M  ISO  8  26   2  27   2  28   2  29   2  30   2  31   2  32   2  33   2
M  ISO  8  34   2  35   2  36   2  37   2  38   2  39   2  40   2  41   2
M  ISO  8  42   2  43   2  44   2  45   2  46   2  47   2  48   2  49   2
M  ISO  8  50   2  51   2  52   2  53   2  54   2  55   2  56   2  57   2
M  ISO  8  58   2  59   2  60   2  61   2  62   2  63   2  64   2  65   2
M  ISO  2  66   2  67   2
M  END
                                
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正二十烷基磷酸胆碱-d42 Smile 编码:
P(=O)([O-])(O[2H])OC([2H])(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
正二十烷基磷酸胆碱-d42 InChi 编码:
1S/C19H42NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19(18-20(2,3)4)24-25(21,22)23/h19H,5-18H2,1-4H3,(H-,21,22,23)/i1D3,2D3,3D3,4D3,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D/hD
正二十烷基磷酸胆碱-d42 InChiKey 编码:
XGFMLRJDOIKIFG-YNRVKULASA-N