
 Kinetin riboside

 42 45  0  0  0  0  0  0  0  0999 V2000
   -0.4191    0.2973   -2.0692 C   0  0  0  0  0
    0.2566   -0.2928   -3.1112 C   0  0  0  0  0
    1.2379   -1.1042   -2.6415 O   0  0  0  0  0
    1.1983   -1.0317   -1.2785 C   0  0  0  0  0
    0.1851   -0.1832   -0.8810 C   0  0  0  0  0
    2.2015   -1.8565   -0.5454 C   0  0  0  0  0
    1.7307   -3.2009   -0.2489 N   0  0  0  0  0
    2.7475   -4.1354   -0.0329 C   0  0  0  0  0
    3.9453   -3.7543    0.4893 N   0  0  0  0  0
    4.9044   -4.6862    0.6735 C   0  0  0  0  0
    4.8461   -6.0069    0.4133 N   0  0  0  0  0
    3.6513   -6.3371   -0.1021 C   0  0  0  0  0
    2.5776   -5.4986   -0.3467 C   0  0  0  0  0
    1.5200   -6.2080   -0.8803 N   0  0  0  0  0
    1.9451   -7.4544   -0.9435 C   0  0  0  0  0
    3.2282   -7.5806   -0.4866 N   0  0  0  0  0
    4.0396   -8.7766   -0.4238 C   0  0  0  0  0
    4.5449   -9.1468    0.9841 C   0  0  0  0  0
    4.7756  -10.6350    0.7948 C   0  0  0  0  0
    3.5173  -11.0101   -0.0020 C   0  0  0  0  0
    3.2965   -9.9199   -0.9315 O   0  0  0  0  0
    3.5961  -12.3296   -0.7628 C   0  0  0  0  0
    4.6864  -12.3119   -1.6855 O   0  0  0  0  0
    5.9951  -10.8070    0.0685 O   0  0  0  0  0
    3.5587   -8.9620    2.0087 O   0  0  0  0  0
   -1.2477    0.9854   -2.1570 H   0  0  0  0  0
    0.1671   -0.2446   -4.1876 H   0  0  0  0  0
   -0.0823    0.0540    0.1385 H   0  0  0  0  0
    2.4570   -1.3502    0.3943 H   0  0  0  0  0
    3.1143   -1.8820   -1.1566 H   0  0  0  0  0
    1.0648   -3.5686   -0.9267 H   0  0  0  0  0
    5.8429   -4.3224    1.0830 H   0  0  0  0  0
    1.3690   -8.2948   -1.3115 H   0  0  0  0  0
    4.8794   -8.6280   -1.1142 H   0  0  0  0  0
    5.4514   -8.5990    1.2602 H   0  0  0  0  0
    4.8401  -11.1962    1.7317 H   0  0  0  0  0
    2.6448  -11.0381    0.6629 H   0  0  0  0  0
    2.6803  -12.5086   -1.3347 H   0  0  0  0  0
    3.7505  -13.1648   -0.0735 H   0  0  0  0  0
    4.4533  -11.6392   -2.3561 H   0  0  0  0  0
    5.9012  -11.6022   -0.5001 H   0  0  0  0  0
    3.5263   -8.0063    2.2060 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  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 32  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 33  1  0  0  0
 16 17  1  0  0  0
 17 21  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 25  1  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 19 24  1  0  0  0
 19 36  1  0  0  0
 20 21  1  0  0  0
 20 22  1  0  0  0
 20 37  1  0  0  0
 22 23  1  0  0  0
 22 38  1  0  0  0
 22 39  1  0  0  0
 23 40  1  0  0  0
 24 41  1  0  0  0
 25 42  1  0  0  0
M  END

>  <Chemical Name>
Kinetin riboside

>  <PubChem CID>
20345

>  <Formula>
C15H17N5O5

>  <Molecular Weight>
347.331000

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

>  <XlogP>
0.200

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1=COC(=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

>  <Isomeric SMILES>
C1=COC(=C1)CNC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O

>  <InChI Std. ID>
InChI=1S/C15H17N5O5/c21-5-9-11(22)12(23)15(25-9)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-24-8/h1-3,6-7,9,11-12,15,21-23H,4-5H2,(H,16,17,18)/t9-,11-,12-,15-/m1/s1

>  <InChI Key>
CAGLGYNQQSIUGX-SDBHATRESA-N

