2‘-叠氮基-2’-脱氧-3',5'-二-O-(四氢-2H-吡喃-2-基)腺苷结构式

2‘-叠氮基-2’-脱氧-3',5'-二-O-(四氢-2H-吡喃-2-基)腺苷
中文名称:2‘-叠氮基-2’-脱氧-3',5'-二-O-(四氢-2H-吡喃-2-基)腺苷
英文名称:2'-​azido-​2'-​deoxy-​3',​5'-​bis-​O-​(tetrahydro-​2H-​pyran-​2-​yl)​-Adenosine
CAS No.:62729-22-0
分子式:C20H28N8O5 分子量:460.49
2‘-叠氮基-2’-脱氧-3',5'-二-O-(四氢-2H-吡喃-2-基)腺苷 数据
Mol:
0  0  0
    7.1567   -3.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8098   -2.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9648   -1.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0438   -0.7115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7432   -1.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7297   -0.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8872   -0.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -2.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6643   -3.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4170   -5.6393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5510   -6.1393    0.0000 N   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  1  0  0  0  0
  8 12  1  6  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9  1  1  1  0  0  0
 10 23  1  6  0  0  0
 11 10  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 24  2  0  0  0  0
 22 23  1  0  0  0  0
 25 22  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 29 26  1  0  0  0  0
 30 25  1  0  0  0  0
 31 21  1  6  0  0  0
 31 11  1  0  0  0  0
 24 21  1  0     0  0
 16 21  1  0     0  0
 12 32  2  0     0  0
 32 33  2  0     0  0
M  CHG  2  32   1  33  -1
M  END                                
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2‘-叠氮基-2’-脱氧-3',5'-二-O-(四氢-2H-吡喃-2-基)腺苷 Smile 编码:
O([C@@H]1[C@H](O[C@@H](N2C3C(=C(N)N=CN=3)N=C2)[C@H]1N=[N+]=[N-])COC1CCCCO1)C1OCCCC1
2‘-叠氮基-2’-脱氧-3',5'-二-O-(四氢-2H-吡喃-2-基)腺苷 InChi 编码:
1S/C20H28N8O5/c21-18-16-19(24-10-23-18)28(11-25-16)20-15(26-27-22)17(33-14-6-2-4-8-30-14)12(32-20)9-31-13-5-1-3-7-29-13/h10-15,17,20H,1-9H2,(H2,21,23,24)/t12-,13?,14?,15+,17-,20-/m1/s1
2‘-叠氮基-2’-脱氧-3',5'-二-O-(四氢-2H-吡喃-2-基)腺苷 InChiKey 编码:
HVCVHCSOXVYQTB-BYOHJOHPSA-N