
 BDBM50303351

 39 40  0  0  0  0  0  0  0  0999 V2000
    7.3935   -0.5558   -3.2054 C   0  0  0  0  0
    8.3602    0.1743   -1.8633 P   0  0  0  0  0
    7.6096   -0.0223   -0.5631 O   0  0  0  0  0
    9.7646   -0.3923   -1.9854 O   0  0  0  0  0
    8.3970    1.7207   -2.2932 O   0  0  0  0  0
    7.2430    2.8029   -2.5334 P   0  0  0  0  0
    7.8787    4.1561   -2.8118 O   0  0  0  0  0
    6.1967    2.3030   -3.4991 O   0  0  0  0  0
    6.5683    2.9089   -1.0547 O   0  0  0  0  0
    7.4219    3.1826    0.0472 C   0  0  0  0  0
    7.9530    4.6086   -0.0032 C   0  0  0  0  0
    6.8782    5.6708   -0.2828 C   0  0  0  0  0
    7.5999    6.9297    0.1675 C   0  0  0  0  0
    8.3425    6.3945    1.4213 C   0  0  0  0  0
    8.6037    4.9890    1.2309 O   0  0  0  0  0
    9.5924    7.0740    1.7746 N   0  0  0  0  0
   10.7046    6.9451    0.9615 C   0  0  0  0  0
   11.8597    7.5579    1.2285 C   0  0  0  0  0
   11.9626    8.3710    2.4483 C   0  0  0  0  0
   12.9905    8.9753    2.7316 O   0  0  0  0  0
   10.8421    8.4068    3.2274 N   0  0  0  0  0
    9.6297    7.8320    2.9324 C   0  0  0  0  0
    8.6782    8.0271    3.6876 O   0  0  0  0  0
    8.4630    7.4240   -0.8744 O   0  0  0  0  0
    5.6974    5.4804    0.5076 O   0  0  0  0  0
    7.8407   -0.3048   -4.1712 H   0  0  0  0  0
    6.3588   -0.2090   -3.1850 H   0  0  0  0  0
    7.3877   -1.6444   -3.0979 H   0  0  0  0  0
    8.2509    2.4709    0.0989 H   0  0  0  0  0
    6.8433    3.0269    0.9647 H   0  0  0  0  0
    8.7463    4.6736   -0.7533 H   0  0  0  0  0
    6.5737    5.7117   -1.3319 H   0  0  0  0  0
    6.9266    7.7471    0.4437 H   0  0  0  0  0
    7.6491    6.4377    2.2698 H   0  0  0  0  0
   10.5959    6.3263    0.0738 H   0  0  0  0  0
   12.7267    7.4802    0.5884 H   0  0  0  0  0
   10.8796    8.9548    4.0693 H   0  0  0  0  0
    8.4858    6.7566   -1.5940 H   0  0  0  0  0
    5.3011    4.6551    0.1549 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  5  6  1  0  0  0
  6  9  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 25  1  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 24  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 14 34  1  0  0  0
 16 17  1  0  0  0
 16 22  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  1  0  0  0
 21 37  1  0  0  0
 22 23  2  0  0  0
 24 38  1  0  0  0
 25 39  1  0  0  0
M  CHG  2   4  -1   8  -1
M  END

>  <Chemical Name>
BDBM50303351

>  <PubChem CID>
91933961

>  <Formula>
C10H14N2O11P2-2

>  <Molecular Weight>
400.173000

>  <IUPAC Name>
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-methylphosphinate

>  <XlogP>
-4.400

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O

>  <Isomeric SMILES>
CP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O

>  <InChI Std. ID>
InChI=1S/C10H16N2O11P2/c1-24(17,18)23-25(19,20)21-4-5-7(14)8(15)9(22-5)12-3-2-6(13)11-10(12)16/h2-3,5,7-9,14-15H,4H2,1H3,(H,17,18)(H,19,20)(H,11,13,16)/p-2/t5-,7-,8-,9-/m1/s1

>  <InChI Key>
SQMHOLXBHLEZAD-ZOQUXTDFSA-L

