
 Lopac-A-8598

 27 29  0  0  0  0  0  0  0  0999 V2000
    3.1130   -0.2433   -0.3298 C   0  0  0  0  0
    1.9609   -0.9244   -0.3631 C   0  0  0  0  0
    0.7712   -0.2520   -0.3497 N   0  0  0  0  0
   -0.5585   -0.7728   -0.2397 C   0  0  0  0  0
   -1.3936    0.5037   -0.3308 C   0  0  0  0  0
   -2.3506    0.3722    0.8348 C   0  0  0  0  0
   -1.5149   -0.4027    1.8422 C   0  0  0  0  0
   -0.7699   -1.3617    1.0554 O   0  0  0  0  0
   -2.3517   -1.1410    2.8816 C   0  0  0  0  0
   -1.4946   -1.8704    3.7599 O   0  0  0  0  0
   -2.8128    1.6195    1.3227 O   0  0  0  0  0
   -0.4804    1.6041   -0.1217 O   0  0  0  0  0
    0.7841    1.1063   -0.2262 C   0  0  0  0  0
    1.8163    1.8697   -0.1802 N   0  0  0  0  0
    3.0394    1.2498   -0.2731 C   0  0  0  0  0
    4.0794    2.0067   -0.2946 N   0  0  0  0  0
    4.0820   -0.7202   -0.3334 H   0  0  0  0  0
    1.9087   -2.0074   -0.3869 H   0  0  0  0  0
   -0.8073   -1.5070   -1.0124 H   0  0  0  0  0
   -1.8885    0.6549   -1.2947 H   0  0  0  0  0
   -3.2164   -0.2257    0.5258 H   0  0  0  0  0
   -0.7898    0.2424    2.3548 H   0  0  0  0  0
   -3.0211   -1.8664    2.4080 H   0  0  0  0  0
   -2.9474   -0.4465    3.4808 H   0  0  0  0  0
   -0.8525   -2.3363    3.1916 H   0  0  0  0  0
   -2.0723    2.2565    1.2524 H   0  0  0  0  0
    4.9335    1.4530   -0.3586 H   0  0  0  0  0
  1  2  2  0  0  0
  1 15  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 12  1  0  0  0
  5 20  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  6 21  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  7 22  1  0  0  0
  9 10  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 25  1  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 16 27  1  0  0  0
M  END

>  <Chemical Name>
Lopac-A-8598

>  <PubChem CID>
6093264

>  <Formula>
C9H11N3O4

>  <Molecular Weight>
225.204000

>  <IUPAC Name>
(2S,3S,3aR,9aR)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2][1,3]oxazolo[3,4-a]pyrimidin-3-ol

>  <XlogP>
-2.400

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N

>  <Isomeric SMILES>
C1=CN2[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)OC2=NC1=N

>  <InChI Std. ID>
InChI=1S/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8+/m0/s1

>  <InChI Key>
BBDAGFIXKZCXAH-ZAKLUEHWSA-N

