
 CHEMBL215263

 37 38  0  0  0  0  0  0  0  0999 V2000
    2.8120   -2.6394    4.4012 C   0  0  0  0  0
    3.6760   -1.9778    3.3730 C   0  0  0  0  0
    3.2846   -1.7413    2.1187 C   0  0  0  0  0
    4.2080   -1.0740    1.1758 C   0  0  0  0  0
    3.7919   -0.7872    0.0556 O   0  0  0  0  0
    5.4866   -0.8237    1.6343 N   0  0  0  0  0
    5.8476   -0.9893    2.9553 C   0  0  0  0  0
    6.9140   -0.6074    3.4416 O   0  0  0  0  0
    4.9260   -1.5885    3.7685 N   0  0  0  0  0
    6.4279   -0.2331    0.7006 C   0  0  0  0  0
    6.7597    1.2660    0.8947 C   0  0  0  0  0
    8.1763    1.3148    0.3345 C   0  0  0  0  0
    8.7474   -0.0154    0.8459 C   0  0  0  0  0
    7.6727   -0.9733    0.7327 O   0  0  0  0  0
    9.9921   -0.5434    0.1376 C   0  0  0  0  0
    9.7727   -0.6479   -1.2663 O   0  0  0  0  0
   11.0034   -1.2008   -2.1253 P   0  0  0  0  0
   12.3068   -0.5052   -1.9479 O   0  0  0  0  0
   11.0093   -2.7751   -1.8937 O   0  0  0  0  0
   10.4804   -1.1174   -3.6300 O   0  0  0  0  0
    8.1017    1.4067   -1.0908 O   0  0  0  0  0
    6.7593    1.7337    2.2480 O   0  0  0  0  0
    3.2740   -3.5718    4.7415 H   0  0  0  0  0
    1.8205   -2.8806    4.0058 H   0  0  0  0  0
    2.6776   -1.9836    5.2673 H   0  0  0  0  0
    2.3064   -2.0057    1.7382 H   0  0  0  0  0
    5.2219   -1.7190    4.7293 H   0  0  0  0  0
    6.0638   -0.3658   -0.3255 H   0  0  0  0  0
    6.0551    1.8909    0.3373 H   0  0  0  0  0
    8.7612    2.1638    0.7027 H   0  0  0  0  0
    8.9776    0.0687    1.9147 H   0  0  0  0  0
   10.2410   -1.5394    0.5198 H   0  0  0  0  0
   10.8357    0.1312    0.3156 H   0  0  0  0  0
   10.2238   -3.1880   -2.2941 H   0  0  0  0  0
   10.8512   -0.3287   -4.0700 H   0  0  0  0  0
    8.4879    0.5926   -1.4710 H   0  0  0  0  0
    7.1128    1.0262    2.8280 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  9  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 27  1  0  0  0
 10 14  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 11 22  1  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 21  1  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 13 31  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 17 20  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 34  1  0  0  0
 20 35  1  0  0  0
 21 36  1  0  0  0
 22 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL215263

>  <PubChem CID>
44417704

>  <Formula>
C10H15N2O9P

>  <Molecular Weight>
338.209000

>  <IUPAC Name>
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate

>  <XlogP>
-3.6

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=CC(=O)N(C(=O)N1)C2C(C(C(O2)COP(=O)(O)O)O)O

>  <Isomeric SMILES>
CC1=CC(=O)N(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O

>  <InChI Std. ID>
InChI=1S/C10H15N2O9P/c1-4-2-6(13)12(10(16)11-4)9-8(15)7(14)5(21-9)3-20-22(17,18)19/h2,5,7-9,14-15H,3H2,1H3,(H,11,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1

>  <InChI Key>
BBIBNZFXLBFONK-ZOQUXTDFSA-N

