
 Uridine 5'-diphosphate

 39 40  0  0  0  0  0  0  0  0999 V2000
   -0.9393    5.0342    4.9847 C   0  0  0  0  0
   -0.6793    4.7889    3.6981 C   0  0  0  0  0
   -1.6785    4.7247    2.7441 N   0  0  0  0  0
   -3.0124    4.9031    3.0852 C   0  0  0  0  0
   -3.9333    4.8597    2.2724 O   0  0  0  0  0
   -3.2635    5.1686    4.4050 N   0  0  0  0  0
   -2.3335    5.2398    5.4002 C   0  0  0  0  0
   -2.6215    5.4600    6.5698 O   0  0  0  0  0
   -1.3858    4.3644    1.3519 C   0  0  0  0  0
   -1.7458    5.4478    0.3059 C   0  0  0  0  0
   -0.7748    5.1074   -0.8120 C   0  0  0  0  0
    0.4728    4.7526    0.0009 C   0  0  0  0  0
    0.0151    4.0564    1.1789 O   0  0  0  0  0
    1.5076    3.9102   -0.7299 C   0  0  0  0  0
    2.1006    4.6570   -1.7830 O   0  0  0  0  0
    3.2658    3.9452   -2.6274 P   0  0  0  0  0
    3.8986    4.7839   -3.6918 O   0  0  0  0  0
    4.3270    3.5341   -1.5036 O   0  0  0  0  0
    2.6712    2.5726   -3.1496 O   0  0  0  0  0
    3.4715    1.6809   -4.1856 P   0  0  0  0  0
    4.7945    1.1482   -3.7624 O   0  0  0  0  0
    2.4263    0.5392   -4.5839 O   0  0  0  0  0
    3.5113    2.5448   -5.5274 O   0  0  0  0  0
   -1.2588    3.9858   -1.5529 O   0  0  0  0  0
   -1.4707    6.7800    0.7603 O   0  0  0  0  0
   -0.1728    5.0781    5.7465 H   0  0  0  0  0
    0.3442    4.6212    3.3742 H   0  0  0  0  0
   -4.2270    5.2992    4.6708 H   0  0  0  0  0
   -1.9348    3.4411    1.1245 H   0  0  0  0  0
   -2.7943    5.3943   -0.0022 H   0  0  0  0  0
   -0.5773    5.9327   -1.5033 H   0  0  0  0  0
    0.9477    5.6800    0.3474 H   0  0  0  0  0
    1.0640    2.9889   -1.1217 H   0  0  0  0  0
    2.2836    3.6082   -0.0173 H   0  0  0  0  0
    5.0548    4.1815   -1.4522 H   0  0  0  0  0
    2.8506   -0.1456   -5.1297 H   0  0  0  0  0
    4.1204    3.3091   -5.4599 H   0  0  0  0  0
   -1.9187    4.3184   -2.1882 H   0  0  0  0  0
   -2.0244    6.9239    1.5488 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
 18 35  1  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
 22 36  1  0  0  0
 23 37  1  0  0  0
 24 38  1  0  0  0
 25 39  1  0  0  0
M  END

>  <Chemical Name>
Uridine 5'-diphosphate

>  <PubChem CID>
6031

>  <Formula>
C9H14N2O12P2

>  <Molecular Weight>
404.161000

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

>  <XlogP>
-4.700

>  <Hydrogen Bond Donors>
6

>  <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)/t4-,6-,7-,8-/m1/s1

>  <InChI Key>
XCCTYIAWTASOJW-XVFCMESISA-N

