
 CHEMBL507060

 41 42  0  0  0  0  0  0  0  0999 V2000
   -1.3669    2.7671    5.2548 C   0  0  0  0  0
   -0.7521    3.1778    4.1453 C   0  0  0  0  0
   -1.3136    3.0133    2.8935 N   0  0  0  0  0
   -2.5745    2.4536    2.7300 C   0  0  0  0  0
   -3.1461    2.3599    1.6473 O   0  0  0  0  0
   -3.1809    2.0117    3.8766 N   0  0  0  0  0
   -2.6796    2.1135    5.1409 C   0  0  0  0  0
   -3.2721    1.7057    6.1322 O   0  0  0  0  0
   -0.6220    3.4569    1.6843 C   0  0  0  0  0
   -1.0203    4.8707    1.2110 C   0  0  0  0  0
    0.2039    5.2345    0.3880 C   0  0  0  0  0
    1.3247    4.6688    1.2756 C   0  0  0  0  0
    0.8100    3.4609    1.8834 O   0  0  0  0  0
    2.6557    4.3719    0.5888 C   0  0  0  0  0
    2.4801    3.4231   -0.4607 O   0  0  0  0  0
    3.7962    2.9378   -1.2609 P   0  0  0  0  0
    4.5105    4.0713   -1.9143 O   0  0  0  0  0
    4.7091    1.8924   -0.1577 C   0  0  0  0  0
    6.2514    1.2004   -0.6799 P   0  0  0  0  0
    6.3188    0.3900   -1.9281 O   0  0  0  0  0
    7.3178    2.3938   -0.6732 O   0  0  0  0  0
    6.7788    0.3563    0.5808 O   0  0  0  0  0
    3.1238    1.9526   -2.3349 O   0  0  0  0  0
    0.0886    4.6174   -0.8952 O   0  0  0  0  0
   -1.1440    5.8025    2.2974 O   0  0  0  0  0
   -0.9451    2.8820    6.2459 H   0  0  0  0  0
    0.2209    3.6583    4.1974 H   0  0  0  0  0
   -4.0866    1.5806    3.7751 H   0  0  0  0  0
   -0.8134    2.7333    0.8808 H   0  0  0  0  0
   -1.9563    4.8694    0.6438 H   0  0  0  0  0
    0.3290    6.3118    0.2422 H   0  0  0  0  0
    1.5135    5.3634    2.1043 H   0  0  0  0  0
    3.3515    3.9536    1.3210 H   0  0  0  0  0
    3.0816    5.2896    0.1725 H   0  0  0  0  0
    4.0512    1.0697    0.1416 H   0  0  0  0  0
    4.9209    2.4602    0.7542 H   0  0  0  0  0
    8.1522    2.1702   -1.1272 H   0  0  0  0  0
    7.5374   -0.2167    0.3607 H   0  0  0  0  0
    2.7002    2.4287   -3.0742 H   0  0  0  0  0
    0.9677    4.2835   -1.1565 H   0  0  0  0  0
   -1.8771    5.4780    2.8516 H   0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  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
  3  9  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 32  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 16 23  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 19 22  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 37  1  0  0  0
 22 38  1  0  0  0
 23 39  1  0  0  0
 24 40  1  0  0  0
 25 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL507060

>  <PubChem CID>
44585949

>  <Formula>
C10H16N2O11P2

>  <Molecular Weight>
402.189000

>  <IUPAC Name>
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid

>  <XlogP>
-4.900

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(CP(=O)(O)O)O)O)O

>  <Isomeric SMILES>
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CP(=O)(O)O)O)O)O

>  <InChI Std. ID>
InChI=1S/C10H16N2O11P2/c13-6-1-2-12(10(16)11-6)9-8(15)7(14)5(23-9)3-22-25(20,21)4-24(17,18)19/h1-2,5,7-9,14-15H,3-4H2,(H,20,21)(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1

>  <InChI Key>
PDEGDTTUBZXACY-ZOQUXTDFSA-N

