
 AC1LA9RB

 32 34  0  0  0  0  0  0  0  0999 V2000
   -0.8376   -1.0063   -0.1777 C   0  0  0  0  0
   -1.1814    0.2878    0.5191 C   0  0  0  0  0
   -0.1728    1.2654   -0.0670 C   0  0  0  0  0
    1.0260    0.4886   -0.3159 O   0  0  0  0  0
    0.6790   -0.9193   -0.3001 C   0  0  0  0  0
    1.2221   -1.5723   -1.4745 N   0  0  0  0  0
    1.9407   -1.0040   -2.4919 C   0  0  0  0  0
    2.3141   -1.8908   -3.3915 N   0  0  0  0  0
    1.8328   -3.0911   -2.9227 C   0  0  0  0  0
    1.1416   -2.9144   -1.7312 C   0  0  0  0  0
    0.5268   -3.8543   -0.9894 N   0  0  0  0  0
    0.6547   -5.0887   -1.5358 C   0  0  0  0  0
    1.3179   -5.4124   -2.7157 C   0  0  0  0  0
    1.9266   -4.3935   -3.4536 C   0  0  0  0  0
    2.6440   -4.6832   -4.6261 N   0  0  0  0  0
   -0.1120   -6.3263   -0.6184 Cl  0  0  0  0  0
   -0.6285    1.8782   -1.3944 C   0  0  0  0  0
    0.3611    2.7902   -1.8692 O   0  0  0  0  0
   -0.9815    0.1239    1.9247 O   0  0  0  0  0
   -1.1461   -1.8971    0.3789 H   0  0  0  0  0
   -1.3102   -1.0404   -1.1666 H   0  0  0  0  0
   -2.2214    0.5907    0.3707 H   0  0  0  0  0
    0.1031    2.0572    0.6376 H   0  0  0  0  0
    1.1762   -1.3603    0.5722 H   0  0  0  0  0
    2.1699    0.0533   -2.5299 H   0  0  0  0  0
    1.3738   -6.4414   -3.0509 H   0  0  0  0  0
    2.1152   -5.2315   -5.2976 H   0  0  0  0  0
    2.9990   -3.8202   -5.0450 H   0  0  0  0  0
   -1.5650    2.4304   -1.2720 H   0  0  0  0  0
   -0.7651    1.1182   -2.1701 H   0  0  0  0  0
    1.2244    2.3479   -1.7667 H   0  0  0  0  0
   -0.0405    0.2602    2.1378 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  7  8  2  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 16  1  0  0  0
 13 14  2  0  0  0
 13 26  1  0  0  0
 14 15  1  0  0  0
 15 27  1  0  0  0
 15 28  1  0  0  0
 17 18  1  0  0  0
 17 29  1  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
 19 32  1  0  0  0
M  END

>  <Chemical Name>
AC1LA9RB

>  <PubChem CID>
464418

>  <Formula>
C11H13ClN4O3

>  <Molecular Weight>
284.700000

>  <IUPAC Name>
(2R,3S,5R)-5-(7-amino-5-chloroimidazo[4,5-b]pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-ol

>  <XlogP>
1.100

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(C(OC1N2C=NC3=C2N=C(C=C3N)Cl)CO)O

>  <Isomeric SMILES>
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(C=C3N)Cl)CO)O

>  <InChI Std. ID>
InChI=1S/C11H13ClN4O3/c12-8-1-5(13)10-11(15-8)16(4-14-10)9-2-6(18)7(3-17)19-9/h1,4,6-7,9,17-18H,2-3H2,(H2,13,15)/t6-,7+,9+/m0/s1

>  <InChI Key>
DUCXWDWEQQGOTG-LKEWCRSYSA-N

