
 CHEMBL215940

 37 38  0  0  0  0  0  0  0  0999 V2000
    2.8695    2.0396    0.6841 C   0  0  0  0  0
    2.7693    0.6095    0.4659 N   0  0  0  0  0
    1.5722    0.0955    0.0035 C   0  0  0  0  0
    0.5649    0.7534   -0.2401 O   0  0  0  0  0
    1.5288   -1.3621   -0.1951 C   0  0  0  0  0
    2.6234   -2.0867    0.0219 C   0  0  0  0  0
    3.8041   -1.5129    0.4366 N   0  0  0  0  0
    3.9124   -0.1497    0.7009 C   0  0  0  0  0
    4.9551    0.3441    1.1321 O   0  0  0  0  0
    4.9993   -2.3226    0.6750 C   0  0  0  0  0
    5.2112   -2.7054    2.1545 C   0  0  0  0  0
    6.0838   -3.9372    1.9932 C   0  0  0  0  0
    5.4048   -4.6168    0.7930 C   0  0  0  0  0
    4.9635   -3.5533   -0.0858 O   0  0  0  0  0
    6.2598   -5.6133    0.0140 C   0  0  0  0  0
    7.4485   -4.9879   -0.4621 O   0  0  0  0  0
    8.4079   -5.8961   -1.3639 P   0  0  0  0  0
    8.8832   -7.1672   -0.7540 O   0  0  0  0  0
    7.6839   -6.0278   -2.7749 O   0  0  0  0  0
    9.6222   -4.9304   -1.7339 O   0  0  0  0  0
    7.4295   -3.5181    1.7587 O   0  0  0  0  0
    3.9887   -3.0836    2.8068 O   0  0  0  0  0
    1.8953    2.5338    0.6481 H   0  0  0  0  0
    3.5139    2.4632   -0.0931 H   0  0  0  0  0
    3.3295    2.2334    1.6583 H   0  0  0  0  0
    0.5926   -1.7922   -0.5266 H   0  0  0  0  0
    2.6113   -3.1630   -0.1272 H   0  0  0  0  0
    5.8763   -1.7739    0.3078 H   0  0  0  0  0
    5.6790   -1.8997    2.7283 H   0  0  0  0  0
    6.0779   -4.5929    2.8692 H   0  0  0  0  0
    4.4937   -5.1284    1.1285 H   0  0  0  0  0
    5.6982   -5.9853   -0.8496 H   0  0  0  0  0
    6.5344   -6.4570    0.6551 H   0  0  0  0  0
    7.6387   -5.1656   -3.2255 H   0  0  0  0  0
   10.4534   -5.2928   -1.3704 H   0  0  0  0  0
    7.6926   -3.8048    0.8610 H   0  0  0  0  0
    3.4221   -2.2907    2.8056 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  3  1  0  0  0
  2  8  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  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>
CHEMBL215940

>  <PubChem CID>
44602426

>  <Formula>
C10H15N2O9P

>  <Molecular Weight>
338.209000

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

>  <XlogP>
-3.8

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O

>  <Isomeric SMILES>
CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O

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

>  <InChI Key>
KZSHODFDDQCIMT-ZOQUXTDFSA-N

