
 N6-Cyclohexyladenosine

 48 51  0  0  0  0  0  0  0  0999 V2000
   -3.5796    1.0247    1.7011 C   0  0  0  0  0
   -2.4393    0.7791    0.7202 C   0  0  0  0  0
   -1.0930    0.6940    1.4371 C   0  0  0  0  0
   -1.0764   -0.3297    2.5827 C   0  0  0  0  0
   -2.2710   -0.1359    3.5280 C   0  0  0  0  0
   -3.6115   -0.0342    2.7981 C   0  0  0  0  0
   -1.0822   -1.6728    2.0177 N   0  0  0  0  0
   -0.4040   -2.6891    2.6824 C   0  0  0  0  0
    0.6752   -2.4246    3.4656 N   0  0  0  0  0
    1.3438   -3.4525    4.0290 C   0  0  0  0  0
    1.0835   -4.7743    3.9345 N   0  0  0  0  0
    0.0098   -4.9874    3.1564 C   0  0  0  0  0
   -0.7776   -4.0395    2.5270 C   0  0  0  0  0
   -1.8122   -4.6401    1.8387 N   0  0  0  0  0
   -1.6328   -5.9309    2.0243 C   0  0  0  0  0
   -0.5342   -6.1938    2.8004 N   0  0  0  0  0
    0.0415   -7.4865    3.0898 C   0  0  0  0  0
    0.4063   -7.7599    4.5597 C   0  0  0  0  0
    0.3201   -9.2762    4.5838 C   0  0  0  0  0
   -0.9388   -9.5092    3.7371 C   0  0  0  0  0
   -0.8758   -8.5322    2.6727 O   0  0  0  0  0
   -1.0887  -10.9113    3.1499 C   0  0  0  0  0
    0.1026  -11.3025    2.4536 O   0  0  0  0  0
    1.5144   -9.8068    4.0052 O   0  0  0  0  0
   -0.5438   -7.2294    5.4934 O   0  0  0  0  0
   -3.4642    2.0169    2.1545 H   0  0  0  0  0
   -4.5339    1.0291    1.1636 H   0  0  0  0  0
   -2.4088    1.5891   -0.0172 H   0  0  0  0  0
   -2.6246   -0.1473    0.1642 H   0  0  0  0  0
   -0.3078    0.4596    0.7073 H   0  0  0  0  0
   -0.8542    1.6839    1.8483 H   0  0  0  0  0
   -0.1534   -0.1534    3.1479 H   0  0  0  0  0
   -2.3191   -0.9504    4.2604 H   0  0  0  0  0
   -2.1175    0.7897    4.0983 H   0  0  0  0  0
   -3.8734   -1.0051    2.3623 H   0  0  0  0  0
   -4.4008    0.2099    3.5181 H   0  0  0  0  0
   -1.9564   -2.0078    1.6183 H   0  0  0  0  0
    2.2038   -3.1792    4.6340 H   0  0  0  0  0
   -2.2526   -6.7162    1.6089 H   0  0  0  0  0
    0.9280   -7.5857    2.4507 H   0  0  0  0  0
    1.4021   -7.3860    4.8168 H   0  0  0  0  0
    0.2058   -9.6943    5.5894 H   0  0  0  0  0
   -1.8382   -9.2713    4.3173 H   0  0  0  0  0
   -1.9088  -10.9397    2.4277 H   0  0  0  0  0
   -1.2867  -11.6409    3.9414 H   0  0  0  0  0
    0.4045  -12.1427    2.8550 H   0  0  0  0  0
    1.2841  -10.1566    3.1173 H   0  0  0  0  0
   -0.3424   -6.2765    5.5784 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 12 16  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 17 21  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 18 25  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 24  1  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 22  1  0  0  0
 20 43  1  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
 23 46  1  0  0  0
 24 47  1  0  0  0
 25 48  1  0  0  0
M  END

>  <Chemical Name>
N6-Cyclohexyladenosine

>  <PubChem CID>
9841284

>  <Formula>
C16H23N5O4

>  <Molecular Weight>
349.391000

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

>  <XlogP>
1.400

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CCC(CC1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

>  <Isomeric SMILES>
C1CCC(CC1)NC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O

>  <InChI Std. ID>
InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1

>  <InChI Key>
SZBULDQSDUXAPJ-XNIJJKJLSA-N

