
 BDBM50303334

 48 49  0  0  0  0  0  0  0  0999 V2000
   -1.3255    0.4379    1.9001 C   0  0  0  0  0
   -0.3860    1.3432    1.6173 C   0  0  0  0  0
    0.4416    1.2284    0.5174 N   0  0  0  0  0
    0.3673    0.1338   -0.3326 C   0  0  0  0  0
    1.0455   -0.0397   -1.3424 O   0  0  0  0  0
   -0.5661   -0.8159    0.0031 N   0  0  0  0  0
   -1.4566   -0.7394    1.0297 C   0  0  0  0  0
   -2.3208   -1.5860    1.2316 O   0  0  0  0  0
    1.4629    2.2420    0.2449 C   0  0  0  0  0
    0.9730    3.6744   -0.0663 C   0  0  0  0  0
    2.2940    4.4132    0.0909 C   0  0  0  0  0
    2.8996    3.7068    1.3230 C   0  0  0  0  0
    2.3501    2.3587    1.3735 O   0  0  0  0  0
    4.4220    3.6572    1.3839 C   0  0  0  0  0
    4.9431    4.9491    1.6456 O   0  0  0  0  0
    5.8584    5.5999    0.4535 P   0  0  0  0  0
    7.0175    4.6531    0.2776 O   0  0  0  0  0
    4.8545    5.8280   -0.6612 O   0  0  0  0  0
    6.2369    6.9594    1.1910 O   0  0  0  0  0
    7.3697    8.0386    0.8842 P   0  0  0  0  0
    8.6038    7.8153    1.7327 O   0  0  0  0  0
    7.4775    8.4172   -0.5727 O   0  0  0  0  0
    6.6330    9.3175    1.5955 O   0  0  0  0  0
    7.3235   10.5405    1.4452 C   0  0  0  0  0
    6.9098   11.4981    2.5570 C   0  0  0  0  0
    7.2658   10.9483    3.9499 C   0  0  0  0  0
    6.8705   11.8717    4.9785 O   0  0  0  0  0
    7.5321   12.7827    2.3755 O   0  0  0  0  0
    3.0133    4.2126   -1.1222 O   0  0  0  0  0
    0.0026    4.1919    0.8613 O   0  0  0  0  0
   -1.9916    0.5220    2.7455 H   0  0  0  0  0
   -0.2447    2.2151    2.2501 H   0  0  0  0  0
   -0.6225   -1.6107   -0.6111 H   0  0  0  0  0
    2.0883    1.8986   -0.5884 H   0  0  0  0  0
    0.5429    3.7336   -1.0713 H   0  0  0  0  0
    2.1735    5.4883    0.2607 H   0  0  0  0  0
    2.5230    4.2087    2.2238 H   0  0  0  0  0
    4.8376    3.2131    0.4721 H   0  0  0  0  0
    4.7352    3.0016    2.2040 H   0  0  0  0  0
    7.0807   10.9733    0.4685 H   0  0  0  0  0
    8.4098   10.3924    1.4675 H   0  0  0  0  0
    5.8277   11.6676    2.5143 H   0  0  0  0  0
    8.3469   10.8104    4.0507 H   0  0  0  0  0
    6.7670    9.9948    4.1462 H   0  0  0  0  0
    6.0635   12.3057    4.6528 H   0  0  0  0  0
    8.4915   12.6166    2.4002 H   0  0  0  0  0
    3.7875    4.8527   -1.0825 H   0  0  0  0  0
   -0.0065    5.1579    0.7310 H   0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  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 33  1  0  0  0
  7  8  2  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 19 20  1  0  0  0
 20 23  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 40  1  0  0  0
 24 41  1  0  0  0
 25 28  1  0  0  0
 25 26  1  0  0  0
 25 42  1  0  0  0
 26 27  1  0  0  0
 26 43  1  0  0  0
 26 44  1  0  0  0
 27 45  1  0  0  0
 28 46  1  0  0  0
 29 47  1  0  0  0
 30 48  1  0  0  0
M  CHG  2  18  -1  22  -1
M  END

>  <Chemical Name>
BDBM50303334

>  <PubChem CID>
91933948

>  <Formula>
C12H18N2O14P2-2

>  <Molecular Weight>
476.224000

>  <IUPAC Name>
[2,3-dihydroxypropoxy(oxido)phosphoryl] [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

>  <XlogP>
-5.700

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
14

>  <Canonical SMILES>
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC(CO)O)O)O

>  <Isomeric SMILES>
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OCC(CO)O)O)O

>  <InChI Std. ID>
InChI=1S/C12H20N2O14P2/c15-3-6(16)4-25-29(21,22)28-30(23,24)26-5-7-9(18)10(19)11(27-7)14-2-1-8(17)13-12(14)20/h1-2,6-7,9-11,15-16,18-19H,3-5H2,(H,21,22)(H,23,24)(H,13,17,20)/p-2/t6?,7-,9-,10-,11-/m1/s1

>  <InChI Key>
NTWBENDTKLFVBT-JANFQQFMSA-L

