
 N6-aminoadenosine

 34 36  0  0  0  0  0  0  0  0999 V2000
   -1.2887    0.4062   -1.9195 C   0  0  0  0  0
   -0.2853    1.2050   -1.4989 N   0  0  0  0  0
    0.0526    0.9189   -0.2318 C   0  0  0  0  0
   -0.5208   -0.0289    0.5992 C   0  0  0  0  0
   -1.5689   -0.7965    0.0621 C   0  0  0  0  0
   -1.9404   -0.5530   -1.2301 N   0  0  0  0  0
   -2.2325   -1.7786    0.8295 N   0  0  0  0  0
   -2.8596   -2.8354    0.1349 N   0  0  0  0  0
    0.0835   -0.0240    1.8388 N   0  0  0  0  0
    1.0071    0.9111    1.7580 C   0  0  0  0  0
    1.0263    1.5114    0.5270 N   0  0  0  0  0
    1.9166    2.5582    0.0722 C   0  0  0  0  0
    1.2239    3.8369   -0.4434 C   0  0  0  0  0
    2.2875    4.8738   -0.1248 C   0  0  0  0  0
    2.7426    4.3892    1.2572 C   0  0  0  0  0
    2.8053    2.9475    1.1572 O   0  0  0  0  0
    4.0873    4.9258    1.7358 C   0  0  0  0  0
    5.1183    4.6051    0.8010 O   0  0  0  0  0
    3.3050    4.7921   -1.1258 O   0  0  0  0  0
    0.0308    4.1702    0.2783 O   0  0  0  0  0
   -1.6183    0.5559   -2.9442 H   0  0  0  0  0
   -1.6775   -2.0139    1.6588 H   0  0  0  0  0
   -3.0958   -2.5055   -0.8096 H   0  0  0  0  0
   -3.7607   -3.0394    0.5727 H   0  0  0  0  0
    1.6863    1.1903    2.5550 H   0  0  0  0  0
    2.5563    2.1213   -0.7046 H   0  0  0  0  0
    0.9860    3.7759   -1.5103 H   0  0  0  0  0
    1.9088    5.8997   -0.0871 H   0  0  0  0  0
    1.9806    4.6221    2.0117 H   0  0  0  0  0
    4.3642    4.4837    2.6982 H   0  0  0  0  0
    4.0542    6.0137    1.8441 H   0  0  0  0  0
    5.1866    3.6294    0.8086 H   0  0  0  0  0
    4.1555    5.0557   -0.7114 H   0  0  0  0  0
   -0.6838    3.6125   -0.0859 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  3 11  1  0  0  0
  3  4  2  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 12 16  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 13 14  1  0  0  0
 13 20  1  0  0  0
 13 27  1  0  0  0
 14 15  1  0  0  0
 14 19  1  0  0  0
 14 28  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 15 29  1  0  0  0
 17 18  1  0  0  0
 17 30  1  0  0  0
 17 31  1  0  0  0
 18 32  1  0  0  0
 19 33  1  0  0  0
 20 34  1  0  0  0
M  END

>  <Chemical Name>
N6-aminoadenosine

>  <PubChem CID>
7075199

>  <Formula>
C10H14N6O4

>  <Molecular Weight>
282.260000

>  <IUPAC Name>
(2R,3R,4S,5R)-2-(6-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

>  <XlogP>
-1.100

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1=NC2=C(C(=N1)NN)N=CN2C3C(C(C(O3)CO)O)O

>  <Isomeric SMILES>
C1=NC2=C(C(=N1)NN)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

>  <InChI Std. ID>
InChI=1S/C10H14N6O4/c11-15-8-5-9(13-2-12-8)16(3-14-5)10-7(19)6(18)4(1-17)20-10/h2-4,6-7,10,17-19H,1,11H2,(H,12,13,15)/t4-,6-,7-,10-/m1/s1

>  <InChI Key>
DGKZTAGCCXJUAT-KQYNXXCUSA-N

