6-氯鸟嘌呤核苷结构式

中文名称:6-氯鸟嘌呤核苷
英文名称:2-Amino-6-chloropurine-9-b-D-riboside
CAS No.:2004-07-1
分子式:C10H12N5O4Cl 分子量:301.68638
6-氯鸟嘌呤核苷 数据
Mol:
    6.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3835    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7431    4.7100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.3835    2.3550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0238    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0238    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6642    2.3550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  8 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 11  1  0  0  0  0
M  END                                
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6-氯鸟嘌呤核苷 Smile 编码:
OC[C@H]1O[C@@H](N2C=NC3C(=NC(=NC2=3)N)Cl)C(O)[C@H]1O
6-氯鸟嘌呤核苷 InChi 编码:
InChI=1S/C10H12ClN5O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5+,6?,9-/m1/s1
6-氯鸟嘌呤核苷 InChiKey 编码:
TXWHPSZYRUHEGT-ACJOCUEISA-N