
 CHEMBL1791403

 35 37  0  0  0  0  0  0  0  0999 V2000
    3.5131    0.9293    0.9827 C   0  0  0  0  0
    2.8757   -0.3020    0.3562 C   0  0  0  0  0
    3.5270   -0.6734   -0.9848 C   0  0  0  0  0
    4.9841   -1.1593   -0.9270 C   0  0  0  0  0
    5.0897   -1.8862   -2.2552 C   0  0  0  0  0
    3.7340   -2.6196   -2.2687 C   0  0  0  0  0
    2.7774   -1.7449   -1.6115 O   0  0  0  0  0
    3.1972   -3.0320   -3.5478 N   0  0  0  0  0
    1.8680   -3.2424   -3.8226 C   0  0  0  0  0
    1.6787   -3.7175   -5.0360 N   0  0  0  0  0
    2.9444   -3.8219   -5.5715 C   0  0  0  0  0
    3.9026   -3.4153   -4.6567 C   0  0  0  0  0
    5.2357   -3.3952   -4.8357 N   0  0  0  0  0
    5.5644   -3.8634   -6.0586 C   0  0  0  0  0
    4.7447   -4.2953   -7.0391 N   0  0  0  0  0
    3.4105   -4.2667   -6.8203 C   0  0  0  0  0
    2.5689   -4.7044   -7.8354 N   0  0  0  0  0
    5.2318   -0.9118   -3.2966 O   0  0  0  0  0
    5.2482   -2.0979    0.1195 O   0  0  0  0  0
    3.0054   -1.3883    1.2846 O   0  0  0  0  0
    3.0001    1.1901    1.9154 H   0  0  0  0  0
    3.4674    1.7907    0.3092 H   0  0  0  0  0
    4.5601    0.7435    1.2484 H   0  0  0  0  0
    1.8039   -0.1367    0.2000 H   0  0  0  0  0
    3.4480    0.1838   -1.6663 H   0  0  0  0  0
    5.6814   -0.3219   -0.8293 H   0  0  0  0  0
    5.9353   -2.5802   -2.2979 H   0  0  0  0  0
    3.7914   -3.5287   -1.6558 H   0  0  0  0  0
    1.0883   -3.0374   -3.0983 H   0  0  0  0  0
    6.6266   -3.8964   -6.2855 H   0  0  0  0  0
    3.0414   -5.3245   -8.4794 H   0  0  0  0  0
    1.6519   -4.9815   -7.5015 H   0  0  0  0  0
    5.4218   -1.4194   -4.1128 H   0  0  0  0  0
    4.5256   -2.0161    0.7819 H   0  0  0  0  0
    2.3618   -1.2258    1.9992 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 20  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  6 28  1  0  0  0
  8 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 29  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 30  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 31  1  0  0  0
 17 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>
CHEMBL1791403

>  <PubChem CID>
56678293

>  <Formula>
C11H15N5O4

>  <Molecular Weight>
281.272000

>  <IUPAC Name>
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(1-hydroxyethyl)oxolane-3,4-diol

>  <XlogP>
-0.600

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)O

>  <Isomeric SMILES>
CC([C@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O)O

>  <InChI Std. ID>
InChI=1S/C11H15N5O4/c1-4(17)8-6(18)7(19)11(20-8)16-3-15-5-9(12)13-2-14-10(5)16/h2-4,6-8,11,17-19H,1H3,(H2,12,13,14)/t4?,6-,7+,8-,11+/m0/s1

>  <InChI Key>
DJUZHNZMVHIRPJ-CDFSJCEMSA-N

