
 2'-Amino-2'-deoxyadenosine

 33 35  0  0  0  0  0  0  0  0999 V2000
   -0.7411    0.0138   -2.2839 C   0  0  0  0  0
    0.1214    0.9051   -1.7529 N   0  0  0  0  0
    0.3753    0.6151   -0.4669 C   0  0  0  0  0
   -0.1427   -0.4337    0.2749 C   0  0  0  0  0
   -1.0210   -1.3038   -0.3923 C   0  0  0  0  0
   -1.3237   -1.0481   -1.6858 N   0  0  0  0  0
   -1.6108   -2.4039    0.2160 N   0  0  0  0  0
    0.3237   -0.3917    1.5727 N   0  0  0  0  0
    1.1332    0.6472    1.6050 C   0  0  0  0  0
    1.1898    1.2935    0.3987 N   0  0  0  0  0
    1.9919    2.4496    0.0562 C   0  0  0  0  0
    1.2152    3.6801   -0.4887 C   0  0  0  0  0
    2.2116    4.7797   -0.1242 C   0  0  0  0  0
    2.6374    4.3404    1.2801 C   0  0  0  0  0
    2.7330    2.8966    1.2275 O   0  0  0  0  0
    3.9527    4.9231    1.7879 C   0  0  0  0  0
    5.0237    4.6048    0.8991 O   0  0  0  0  0
    3.2741    4.7391   -1.0842 O   0  0  0  0  0
   -0.1162    3.9430    0.1101 N   0  0  0  0  0
   -1.0054    0.1707   -3.3262 H   0  0  0  0  0
   -2.4598   -2.6917   -0.2516 H   0  0  0  0  0
   -1.6213   -2.3498    1.2282 H   0  0  0  0  0
    1.7015    0.9690    2.4694 H   0  0  0  0  0
    2.7357    2.1062   -0.6740 H   0  0  0  0  0
    1.0877    3.5956   -1.5740 H   0  0  0  0  0
    1.7881    5.7887   -0.1379 H   0  0  0  0  0
    1.8493    4.5764    2.0054 H   0  0  0  0  0
    4.2068    4.5151    2.7716 H   0  0  0  0  0
    3.8895    6.0127    1.8644 H   0  0  0  0  0
    5.1151    3.6316    0.9294 H   0  0  0  0  0
    4.0968    5.0390   -0.6412 H   0  0  0  0  0
   -0.1328    3.6609    1.0909 H   0  0  0  0  0
   -0.7955    3.3299   -0.3507 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  3 10  1  0  0  0
  3  4  2  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
 12 19  1  0  0  0
 12 25  1  0  0  0
 13 14  1  0  0  0
 13 18  1  0  0  0
 13 26  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 14 27  1  0  0  0
 16 17  1  0  0  0
 16 28  1  0  0  0
 16 29  1  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
 19 32  1  0  0  0
 19 33  1  0  0  0
M  END

>  <Chemical Name>
2'-Amino-2'-deoxyadenosine

>  <PubChem CID>
447594

>  <Formula>
C10H14N6O3

>  <Molecular Weight>
266.261000

>  <IUPAC Name>
(2R,3S,4R,5R)-4-amino-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

>  <XlogP>
-1.300

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

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

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

>  <InChI Std. ID>
InChI=1S/C10H14N6O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1

>  <InChI Key>
CQKMBZHLOYVGHW-QYYRPYCUSA-N

