5-氨基-6-[(5-O-膦酰基-β-D-呋喃核糖)氨基]-2,4(1H,3H)-嘧啶二酮结构式

5-氨基-6-[(5-O-膦酰基-β-D-呋喃核糖)氨基]-2,4(1H,3H)-嘧啶二酮
中文名称:5-氨基-6-[(5-O-膦酰基-β-D-呋喃核糖)氨基]-2,4(1H,3H)-嘧啶二酮
英文名称:5-Amino-6-[(5-O-phosphono-β-D-ribofuranosyl)amino]-2,4(1H,3H)-pyrimidinedione
CAS No.:950761-61-2
分子式:C9H15N4O9P 分子量:354.21
5-氨基-6-[(5-O-膦酰基-β-D-呋喃核糖)氨基]-2,4(1H,3H)-嘧啶二酮 数据
Mol:
 0  0  0  0  0  0  0  0
    2.9454   -1.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5143   -0.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7416   -3.5452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9401   -2.6512    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.0769   -3.2985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8341   -2.0346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1847   -1.7880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0432   -2.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  6  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  1  0  0  0
  6 23  1  6  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 15 11  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 21  2  0  0  0  0
 20 19  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
                                
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5-氨基-6-[(5-O-膦酰基-β-D-呋喃核糖)氨基]-2,4(1H,3H)-嘧啶二酮 Smile 编码:
[C@H]1([C@H](O)[C@@H](COP(O)(=O)O)O[C@H]1NC1NC(=O)NC(C=1N)=O)O
5-氨基-6-[(5-O-膦酰基-β-D-呋喃核糖)氨基]-2,4(1H,3H)-嘧啶二酮 InChi 编码:
1S/C9H15N4O9P/c10-3-6(12-9(17)13-7(3)16)11-8-5(15)4(14)2(22-8)1-21-23(18,19)20/h2,4-5,8,14-15H,1,10H2,(H2,18,19,20)(H3,11,12,13,16,17)/t2-,4-,5-,8-/m1/s1
5-氨基-6-[(5-O-膦酰基-β-D-呋喃核糖)氨基]-2,4(1H,3H)-嘧啶二酮 InChiKey 编码:
LZEXYCAGPMYXLX-UMMCILCDSA-N