
 2'-O-Methyladenosine

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.7549    0.5518   -0.6744 C   0  0  0  0  0
    1.5874    0.9825    0.3981 O   0  0  0  0  0
    2.6542    1.8474   -0.0387 C   0  0  0  0  0
    2.1299    3.2685   -0.2164 C   0  0  0  0  0
    3.3189    4.1489    0.1307 C   0  0  0  0  0
    4.0575    3.4305    1.1432 O   0  0  0  0  0
    3.7270    2.0219    1.0513 C   0  0  0  0  0
    4.9561    1.2724    0.8275 N   0  0  0  0  0
    6.2328    1.7778    0.8172 C   0  0  0  0  0
    7.1444    0.8381    0.6785 N   0  0  0  0  0
    6.4238   -0.3338    0.6059 C   0  0  0  0  0
    5.0618   -0.0871    0.6992 C   0  0  0  0  0
    4.0755   -0.9971    0.6814 N   0  0  0  0  0
    4.5718   -2.2458    0.5675 C   0  0  0  0  0
    5.8623   -2.6337    0.4817 N   0  0  0  0  0
    6.8194   -1.6769    0.4885 C   0  0  0  0  0
    8.1497   -2.0752    0.4177 N   0  0  0  0  0
    4.2433    4.4505   -1.0544 C   0  0  0  0  0
    4.6090    3.2592   -1.7433 O   0  0  0  0  0
    1.0749    3.5320    0.7278 O   0  0  0  0  0
   -0.0094   -0.1147   -0.2647 H   0  0  0  0  0
    1.3374    0.0009   -1.4185 H   0  0  0  0  0
    0.2529    1.4039   -1.1412 H   0  0  0  0  0
    3.0967    1.4555   -0.9618 H   0  0  0  0  0
    1.7207    3.4549   -1.2134 H   0  0  0  0  0
    3.0035    5.0962    0.5819 H   0  0  0  0  0
    3.3586    1.7076    2.0351 H   0  0  0  0  0
    6.4406    2.8354    0.9245 H   0  0  0  0  0
    3.8381   -3.0469    0.5453 H   0  0  0  0  0
    8.2689   -3.0263    0.7433 H   0  0  0  0  0
    8.7847   -1.3752    0.7874 H   0  0  0  0  0
    5.1621    4.9281   -0.6981 H   0  0  0  0  0
    3.7460    5.1142   -1.7681 H   0  0  0  0  0
    5.3652    3.4801   -2.3185 H   0  0  0  0  0
    0.7192    2.6601    0.9951 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 30  1  0  0  0
 17 31  1  0  0  0
 18 19  1  0  0  0
 18 32  1  0  0  0
 18 33  1  0  0  0
 19 34  1  0  0  0
 20 35  1  0  0  0
M  END

>  <Chemical Name>
2'-O-Methyladenosine

>  <PubChem CID>
102213

>  <Formula>
C11H15N5O4

>  <Molecular Weight>
281.272000

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

>  <XlogP>
-0.500

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)O

>  <Isomeric SMILES>
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)CO)O

>  <InChI Std. ID>
InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1

>  <InChI Key>
FPUGCISOLXNPPC-IOSLPCCCSA-N

