2'-O,4'-C-亚乙基胍结构式

2'-O,4'-C-亚乙基胍
中文名称:2'-O,4'-C-亚乙基胍
英文名称:2'-O,4'-C-ethyleneuridine
CAS No.:287737-47-7
分子式:C11H14N2O6 分子量:270.24
2'-O,4'-C-亚乙基胍 数据
Mol:
  0  0  0  0
   -0.8326    0.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1206    1.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8326   -0.5548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5489    0.6831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8326    1.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5489    1.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2630    1.9196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2604    0.0243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  1  3  1  0      
  3  4  1  0
  3  5  1  1
  3  6  1  0
  4  7  1  0
  5  8  1  0      
  9  5  1  1
  5 20  1  0      
  6 10  1  0
  7  9  1  0
  7 11  1  1      
  9 12  1  0
 10 12  1  0
 11 13  1  0
 11 14  1  0
 13 15  2  0      
 13 16  1  0
 14 17  2  0
 16 18  1  0
 17 18  1  0
 18 19  2  0      
M  END                                
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2'-O,4'-C-亚乙基胍 Smile 编码:
C([C@@]12CCO[C@@H]([C@H](N3C=CC(=O)NC3=O)O1)C2([H])O)O
2'-O,4'-C-亚乙基胍 InChi 编码:
1S/C11H14N2O6/c14-5-11-2-4-18-7(8(11)16)9(19-11)13-3-1-6(15)12-10(13)17/h1,3,7-9,14,16H,2,4-5H2,(H,12,15,17)/t7-,8?,9-,11-/m1/s1
2'-O,4'-C-亚乙基胍 InChiKey 编码:
QUXHTKIHPGNDSU-RQTHISMESA-N