
 uridine-5'-diphosphate

 36 37  0  0  0  0  0  0  0  0999 V2000
   -0.3714   -0.0621    2.0021 C   0  0  0  0  0
    0.4697    0.8096    1.4423 C   0  0  0  0  0
    0.4198    1.1214    0.0931 N   0  0  0  0  0
   -0.5462    0.5856   -0.7375 C   0  0  0  0  0
   -0.6691    0.8315   -1.9399 O   0  0  0  0  0
   -1.4030   -0.3112   -0.1505 N   0  0  0  0  0
   -1.3849   -0.7034    1.1568 C   0  0  0  0  0
   -2.1615   -1.5465    1.5976 O   0  0  0  0  0
    1.2992    2.1497   -0.4663 C   0  0  0  0  0
    0.6817    3.5720   -0.5195 C   0  0  0  0  0
    1.8779    4.4352   -0.1541 C   0  0  0  0  0
    2.5693    3.5283    0.8734 C   0  0  0  0  0
    2.5393    2.2119    0.2623 O   0  0  0  0  0
    3.9757    3.9436    1.2628 C   0  0  0  0  0
    4.0767    5.3259    1.5491 O   0  0  0  0  0
    3.1956    5.9870    2.7565 P   0  0  0  0  0
    3.5120    7.4787    2.6765 O   0  0  0  0  0
    1.7305    5.6361    2.5259 O   0  0  0  0  0
    3.8045    5.3836    4.0989 O   0  0  0  0  0
    4.2046    3.9426    4.6977 P   0  0  0  0  0
    3.1126    2.9645    4.2748 O   0  0  0  0  0
    5.5747    3.6124    4.1079 O   0  0  0  0  0
    4.2651    4.1576    6.2113 O   0  0  0  0  0
    2.6992    4.6659   -1.3138 O   0  0  0  0  0
   -0.4075    3.7700    0.4029 O   0  0  0  0  0
   -0.3344   -0.3012    3.0556 H   0  0  0  0  0
    1.2243    1.3057    2.0555 H   0  0  0  0  0
   -2.0994   -0.7195   -0.7467 H   0  0  0  0  0
    1.5776    1.8492   -1.4845 H   0  0  0  0  0
    0.2931    3.7787   -1.5220 H   0  0  0  0  0
    1.5759    5.4123    0.2241 H   0  0  0  0  0
    1.9644    3.4461    1.7810 H   0  0  0  0  0
    4.6605    3.7348    0.4325 H   0  0  0  0  0
    4.3445    3.3270    2.0776 H   0  0  0  0  0
    3.4345    5.2061   -0.9538 H   0  0  0  0  0
   -0.0215    4.1309    1.2365 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 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 35  1  0  0  0
 25 36  1  0  0  0
M  CHG  3  18  -1  22  -1  23  -1
M  END

>  <Chemical Name>
uridine-5'-diphosphate

>  <PubChem CID>
20056717

>  <Formula>
C9H11N2O12P2-3

>  <Molecular Weight>
401.137000

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

>  <XlogP>
-5.000

>  <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

>  <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

>  <InChI Std. ID>
InChI=1S/C9H14N2O12P2/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)/p-3/t4-,6-,7-,8-/m1/s1

>  <InChI Key>
XCCTYIAWTASOJW-XVFCMESISA-K

