蔗糖结构式

中文名称:蔗糖
英文名称:Sucrose, Ultra Pure
CAS No.:57-50-1
分子式:C12H22O11 分子量:342.2965
蔗糖 数据
Mol:
0
    8.4635    5.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4635    6.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7336    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2268    4.6827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2485    2.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1713    1.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5327    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6785    2.7044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  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  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  3  1  0  0  0  0
 10 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  6  0  0  0
 16 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 13  1  0  0  0  0
M  END                                
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蔗糖 Smile 编码:
O1[C@]([H])(C([H])([H])O[H])[C@]([H])([C@@]([H])([C@]1(C([H])([H])O[H])O[C@]1([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])O[H])O[H]
蔗糖 InChi 编码:
1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
蔗糖 InChiKey 编码:
CZMRCDWAGMRECN-UGDNZRGBSA-N