
 Uridine-5'-diphosphate sodium salt(1:3)

 39 37  0  0  0  0  0  0  0  0999 V2000
   -2.7881    2.1730    3.8832 C   0  0  0  0  0
   -2.3115    2.7559    2.7798 C   0  0  0  0  0
   -2.1560    2.0562    1.6016 N   0  0  0  0  0
   -2.1939    0.6639    1.6237 C   0  0  0  0  0
   -1.4455   -0.0219    0.8875 O   0  0  0  0  0
   -2.9956    0.1398    2.6166 N   0  0  0  0  0
   -3.2628    0.7825    3.7896 C   0  0  0  0  0
   -3.8046    0.2338    4.7325 O   0  0  0  0  0
   -1.8326    2.6786    0.3275 C   0  0  0  0  0
   -2.1604    4.1580    0.0564 C   0  0  0  0  0
   -0.8320    4.8440    0.2813 C   0  0  0  0  0
    0.1870    3.7845   -0.1369 C   0  0  0  0  0
   -0.4213    2.4708    0.1204 O   0  0  0  0  0
    0.6434    3.8110   -1.5977 C   0  0  0  0  0
    1.4081    2.6587   -1.9171 O   0  0  0  0  0
    2.7225    2.3215   -1.0294 P   0  0  0  0  0
    3.5688    3.5429   -0.9186 O   0  0  0  0  0
    2.0938    1.6832    0.2322 O   0  0  0  0  0
    3.3321    1.1022   -1.8780 O   0  0  0  0  0
    2.7503   -0.3919   -1.9351 P   0  0  0  0  0
    3.3787   -1.2537   -2.9437 O   0  0  0  0  0
    1.2048   -0.2032   -1.9646 O   0  0  0  0  0
    2.7302   -0.8730   -0.4658 O   0  0  0  0  0
   -0.7739    6.1001   -0.3732 O   0  0  0  0  0
   -3.2095    4.7168    0.8368 O   0  0  0  0  0
    1.0000    0.0000    0.0000 Na  0  0  0  0  0
    1.0000    0.0000    0.0000 Na  0  0  0  0  0
    1.0000    0.0000    0.0000 Na  0  0  0  0  0
   -2.8955    2.6895    4.8300 H   0  0  0  0  0
   -2.0221    3.8067    2.8015 H   0  0  0  0  0
   -3.2154   -0.8438    2.6124 H   0  0  0  0  0
   -2.3449    2.0848   -0.4435 H   0  0  0  0  0
   -2.4592    4.2778   -0.9944 H   0  0  0  0  0
   -0.7117    5.0550    1.3506 H   0  0  0  0  0
    1.0586    3.8725    0.5188 H   0  0  0  0  0
    1.2169    4.7149   -1.8319 H   0  0  0  0  0
   -0.2292    3.7853   -2.2597 H   0  0  0  0  0
   -0.7976    5.9965   -1.3402 H   0  0  0  0  0
   -3.1450    5.6921    0.7497 H   0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  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 31  1  0  0  0
  7  8  2  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 35  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  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
 24 38  1  0  0  0
 25 39  1  0  0  0
M  CHG  6  18  -1  22  -1  23  -1  26   1  27   1  28   1
M  END

>  <Chemical Name>
Uridine-5'-diphosphate sodium salt(1:3)

>  <PubChem CID>
88264

>  <Formula>
C9H11N2Na3O12P2

>  <Molecular Weight>
470.106000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+]

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

>  <InChI Std. ID>
InChI=1S/C9H14N2O12P2.3Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);;;/q;3*+1/p-3/t4-,6-,7-,8-;;;/m1.../s1

>  <InChI Key>
GFASEGWJDXDCKZ-LLWADOMFSA-K

