
 BDBM50303346

 49 50  0  0  0  0  0  0  0  0999 V2000
    4.6893    2.8500   -5.1709 C   0  0  0  0  0
    4.2192    2.6787   -3.7179 C   0  0  0  0  0
    2.6891    2.6298   -3.7077 C   0  0  0  0  0
    4.8058    1.3756   -3.1701 C   0  0  0  0  0
    4.7157    3.8166   -3.0316 O   0  0  0  0  0
    4.4626    4.0718   -1.4517 P   0  0  0  0  0
    2.9769    4.3157   -1.2599 O   0  0  0  0  0
    5.1203    2.9733   -0.6483 O   0  0  0  0  0
    5.2149    5.4675   -1.2536 O   0  0  0  0  0
    6.7398    5.9010   -1.3918 P   0  0  0  0  0
    7.3391    5.6027   -2.7457 O   0  0  0  0  0
    6.9011    7.3222   -0.8594 O   0  0  0  0  0
    7.4604    4.9356   -0.2916 O   0  0  0  0  0
    8.8769    4.8972   -0.3080 C   0  0  0  0  0
    9.4450    6.2796   -0.0526 C   0  0  0  0  0
    8.9921    6.9381    1.2545 C   0  0  0  0  0
    9.8750    8.1759    1.2225 C   0  0  0  0  0
   11.1951    7.5830    0.6447 C   0  0  0  0  0
   10.8858    6.3217   -0.0055 O   0  0  0  0  0
   11.9220    8.4605   -0.2775 N   0  0  0  0  0
   11.7018    8.3953   -1.6431 C   0  0  0  0  0
   12.3430    9.1813   -2.5080 C   0  0  0  0  0
   13.3139   10.1503   -1.9881 C   0  0  0  0  0
   14.0127   10.8211   -2.7392 O   0  0  0  0  0
   13.3913   10.2388   -0.6284 N   0  0  0  0  0
   12.7549    9.4197    0.2722 C   0  0  0  0  0
   12.9804    9.5528    1.4747 O   0  0  0  0  0
    9.2922    9.2014    0.3944 O   0  0  0  0  0
    9.3045    6.1319    2.4010 O   0  0  0  0  0
    5.7829    2.9061   -5.2230 H   0  0  0  0  0
    4.3103    3.7870   -5.5956 H   0  0  0  0  0
    4.3559    2.0236   -5.8080 H   0  0  0  0  0
    2.2638    3.5968   -3.9985 H   0  0  0  0  0
    2.3035    2.3940   -2.7109 H   0  0  0  0  0
    2.3076    1.8627   -4.3904 H   0  0  0  0  0
    5.8950    1.4445   -3.0755 H   0  0  0  0  0
    4.5654    0.5253   -3.8179 H   0  0  0  0  0
    4.4088    1.1441   -2.1770 H   0  0  0  0  0
    9.2335    4.5023   -1.2659 H   0  0  0  0  0
    9.2168    4.1879    0.4537 H   0  0  0  0  0
    9.1785    6.9097   -0.9054 H   0  0  0  0  0
    7.9283    7.1786    1.2981 H   0  0  0  0  0
   10.0496    8.6115    2.2115 H   0  0  0  0  0
   11.8600    7.3217    1.4776 H   0  0  0  0  0
   10.9772    7.6684   -2.0027 H   0  0  0  0  0
   12.1802    9.1284   -3.5755 H   0  0  0  0  0
   14.0386   10.9050   -0.2450 H   0  0  0  0  0
    8.4958    8.8241   -0.0537 H   0  0  0  0  0
    8.6542    5.4016    2.3692 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  4 38  1  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 13  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 19  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 29  1  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 28  1  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 20  1  0  0  0
 18 44  1  0  0  0
 20 21  1  0  0  0
 20 26  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 26 27  2  0  0  0
 28 48  1  0  0  0
 29 49  1  0  0  0
M  CHG  2   8  -1  12  -1
M  END

>  <Chemical Name>
BDBM50303346

>  <PubChem CID>
91933957

>  <Formula>
C13H20N2O12P2-2

>  <Molecular Weight>
458.253000

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

>  <XlogP>
-3.400

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
12

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

>  <Isomeric SMILES>
CC(C)(C)OP(=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/C13H22N2O12P2/c1-13(2,3)26-29(22,23)27-28(20,21)24-6-7-9(17)10(18)11(25-7)15-5-4-8(16)14-12(15)19/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,20,21)(H,22,23)(H,14,16,19)/p-2/t7-,9-,10-,11-/m1/s1

>  <InChI Key>
WNGWAAUXTRDYMW-QCNRFFRDSA-L

