9-[2-O-乙酰-3,5-双-O-(四氢-2H-吡喃-2-基)-β-D-阿拉伯糠酰基]-8-溴-9H-嘌呤-6-胺结构式

9-[2-O-乙酰-3,5-双-O-(四氢-2H-吡喃-2-基)-β-D-阿拉伯糠酰基]-8-溴-9H-嘌呤-6-胺
中文名称:9-[2-O-乙酰-3,5-双-O-(四氢-2H-吡喃-2-基)-β-D-阿拉伯糠酰基]-8-溴-9H-嘌呤-6-胺
英文名称:9-[2-O-Acetyl-3,5-bis-O-(tetrahydro-2H-pyran-2-yl)-β-D-arabinofuranosyl]-8-bromo-9H-purin-6-amine
CAS No.:259144-96-2
分子式:C22H30BrN5O7 分子量:556.41
9-[2-O-乙酰-3,5-双-O-(四氢-2H-吡喃-2-基)-β-D-阿拉伯糠酰基]-8-溴-9H-嘌呤-6-胺 数据
Mol:
   2.9255   -1.5985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9647   -3.2628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1176   -2.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1407   -3.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8070   -2.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6182   -1.6814    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.9469   -1.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9018   -0.6635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7213   -1.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079   -0.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8673   -0.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8469   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  3  2  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12  1  1  1  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  6  0  0  0
 15 27  1  6  0  0  0
 16 15  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 24  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 28  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 30 26  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 33 34  1  0  0  0  0
 34 31  1  0  0  0  0
 35 30  1  0  0  0  0
 28 25  1  0     0  0
 13 11  1  6     0  0
M  END                                
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9-[2-O-乙酰-3,5-双-O-(四氢-2H-吡喃-2-基)-β-D-阿拉伯糠酰基]-8-溴-9H-嘌呤-6-胺 Smile 编码:
O([C@@H]1[C@H](O[C@@H](N2C(Br)=NC3=C(N)N=CN=C32)[C@H]1OC(C)=O)COC1CCCCO1)C1OCCCC1
9-[2-O-乙酰-3,5-双-O-(四氢-2H-吡喃-2-基)-β-D-阿拉伯糠酰基]-8-溴-9H-嘌呤-6-胺 InChi 编码:
1S/C22H30BrN5O7/c1-12(29)33-18-17(35-15-7-3-5-9-31-15)13(10-32-14-6-2-4-8-30-14)34-21(18)28-20-16(27-22(28)23)19(24)25-11-26-20/h11,13-15,17-18,21H,2-10H2,1H3,(H2,24,25,26)/t13-,14?,15?,17-,18+,21-/m1/s1
9-[2-O-乙酰-3,5-双-O-(四氢-2H-吡喃-2-基)-β-D-阿拉伯糠酰基]-8-溴-9H-嘌呤-6-胺 InChiKey 编码:
DJGVYZIDFNJQIC-GWQDUIBZSA-N