
 P1-uridyl-P2-methyl diphosphate

 40 41  0  0  0  0  0  0  0  0999 V2000
    3.3445    6.4378    3.0578 C   0  0  0  0  0
    4.7456    6.3074    3.1135 O   0  0  0  0  0
    5.3592    4.8918    2.6145 P   0  0  0  0  0
    6.8569    4.9212    2.8358 O   0  0  0  0  0
    4.5538    3.7918    3.2815 O   0  0  0  0  0
    5.0180    4.8977    1.0538 O   0  0  0  0  0
    5.4722    5.8654   -0.1335 P   0  0  0  0  0
    5.1100    5.2149   -1.4551 O   0  0  0  0  0
    5.0180    7.2861    0.1134 O   0  0  0  0  0
    7.0906    5.8144   -0.0061 O   0  0  0  0  0
    7.7164    4.5631   -0.2306 C   0  0  0  0  0
    9.2201    4.7471   -0.1077 C   0  0  0  0  0
    9.7437    5.1236    1.2887 C   0  0  0  0  0
   11.2085    4.7265    1.1504 C   0  0  0  0  0
   11.0285    3.3868    0.3991 C   0  0  0  0  0
    9.9412    3.5632   -0.5353 O   0  0  0  0  0
   12.2057    2.8826   -0.3126 N   0  0  0  0  0
   12.6168    3.4906   -1.4828 C   0  0  0  0  0
   13.6635    3.0520   -2.1835 C   0  0  0  0  0
   14.3850    1.8650   -1.7002 C   0  0  0  0  0
   15.3498    1.4166   -2.3102 O   0  0  0  0  0
   13.9178    1.3168   -0.5421 N   0  0  0  0  0
   12.8742    1.7884    0.2126 C   0  0  0  0  0
   12.6096    1.2309    1.2766 O   0  0  0  0  0
   11.9394    5.7229    0.4161 O   0  0  0  0  0
    9.2305    4.3345    2.3561 O   0  0  0  0  0
    3.0833    7.4871    3.2138 H   0  0  0  0  0
    2.8856    5.8454    3.8539 H   0  0  0  0  0
    2.9514    6.1192    2.0880 H   0  0  0  0  0
    7.4796    4.2080   -1.2393 H   0  0  0  0  0
    7.3514    3.8038    0.4669 H   0  0  0  0  0
    9.5222    5.5411   -0.8057 H   0  0  0  0  0
    9.5952    6.1842    1.5127 H   0  0  0  0  0
   11.7224    4.5725    2.1064 H   0  0  0  0  0
   10.6867    2.6215    1.1076 H   0  0  0  0  0
   12.0452    4.3564   -1.8107 H   0  0  0  0  0
   14.0012    3.5187   -3.0960 H   0  0  0  0  0
   14.3921    0.5077   -0.1830 H   0  0  0  0  0
   11.7627    6.5703    0.8634 H   0  0  0  0  0
    8.2774    4.6123    2.5171 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  3  6  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  6  7  1  0  0  0
  7 10  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 16  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 25  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 15 35  1  0  0  0
 17 18  1  0  0  0
 17 23  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 38  1  0  0  0
 23 24  2  0  0  0
 25 39  1  0  0  0
 26 40  1  0  0  0
M  CHG  2   5  -1   9  -1
M  END

>  <Chemical Name>
P1-uridyl-P2-methyl diphosphate

>  <PubChem CID>
25202179

>  <Formula>
C10H14N2O12P2-2

>  <Molecular Weight>
416.172000

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

>  <XlogP>
-4.300

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
12

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

>  <Isomeric SMILES>
COP(=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/C10H16N2O12P2/c1-21-25(17,18)24-26(19,20)22-4-5-7(14)8(15)9(23-5)12-3-2-6(13)11-10(12)16/h2-3,5,7-9,14-15H,4H2,1H3,(H,17,18)(H,19,20)(H,11,13,16)/p-2/t5-,7-,8-,9-/m1/s1

>  <InChI Key>
QEXWQSCECHIMQL-ZOQUXTDFSA-L

