
 UDM

 68 70  0  0  0  0  0  0  0  0999 V2000
    6.1295   -0.7666    3.6171 C   0  0  0  0  0
    6.9642   -0.5720    2.3801 C   0  0  0  0  0
    8.0972   -1.0283    2.2714 O   0  0  0  0  0
    6.3620    0.1808    1.4009 N   0  0  0  0  0
    7.0730    0.5641    0.1792 C   0  0  0  0  0
    6.0782    0.9942   -0.9215 C   0  0  0  0  0
    5.3555    2.1644   -0.4753 O   0  0  0  0  0
    6.1904    3.3192   -0.2167 C   0  0  0  0  0
    7.3253    3.0144    0.7773 C   0  0  0  0  0
    8.0657    1.7096    0.4618 C   0  0  0  0  0
    8.9283    1.9366   -0.6645 O   0  0  0  0  0
    8.2587    4.0935    0.8657 O   0  0  0  0  0
    6.6321    3.9854   -1.5303 C   0  0  0  0  0
    5.4866    4.3211   -2.3206 O   0  0  0  0  0
    5.0428   -0.0831   -1.2801 C   0  0  0  0  0
    5.7428   -1.5913   -1.9050 P   0  0  0  0  0
    6.7866   -1.4717   -2.9667 O   0  0  0  0  0
    6.3554   -2.3179   -0.6084 O   0  0  0  0  0
    4.5704   -2.6075   -2.2477 O   0  0  0  0  0
    3.4282   -2.4699   -3.3390 P   0  0  0  0  0
    2.5343   -1.2914   -3.1585 O   0  0  0  0  0
    4.2128   -2.5346   -4.7269 O   0  0  0  0  0
    2.6884   -3.8963   -3.2833 O   0  0  0  0  0
    1.5904   -4.1086   -4.1587 C   0  0  0  0  0
    0.9371   -5.4574   -3.8519 C   0  0  0  0  0
    0.3823   -5.5890   -2.4220 C   0  0  0  0  0
   -0.7444   -6.5976   -2.6094 C   0  0  0  0  0
   -1.2751   -6.1496   -3.9948 C   0  0  0  0  0
   -0.1497   -5.7006   -4.7704 O   0  0  0  0  0
   -2.0909   -7.0745   -4.7917 N   0  0  0  0  0
   -3.2915   -6.6119   -5.3083 C   0  0  0  0  0
   -4.0661   -7.3571   -6.1037 C   0  0  0  0  0
   -3.6386   -8.7229   -6.4306 C   0  0  0  0  0
   -4.3101   -9.4393   -7.1622 O   0  0  0  0  0
   -2.4550   -9.1142   -5.8796 N   0  0  0  0  0
   -1.6077   -8.3255   -5.1454 C   0  0  0  0  0
   -0.4942   -8.7502   -4.8411 O   0  0  0  0  0
   -0.1876   -7.9050   -2.4897 O   0  0  0  0  0
   -0.1683   -4.3627   -1.9361 O   0  0  0  0  0
    6.6202   -0.2692    4.4581 H   0  0  0  0  0
    6.0345   -1.8361    3.8224 H   0  0  0  0  0
    5.1270   -0.3460    3.5007 H   0  0  0  0  0
    5.4951    0.6641    1.6127 H   0  0  0  0  0
    7.6556   -0.2952   -0.1691 H   0  0  0  0  0
    6.6247    1.2394   -1.8389 H   0  0  0  0  0
    5.5212    4.0411    0.2699 H   0  0  0  0  0
    6.8703    2.9063    1.7697 H   0  0  0  0  0
    8.7269    1.4680    1.3025 H   0  0  0  0  0
    9.5138    1.1575   -0.7341 H   0  0  0  0  0
    8.9594    3.8960    0.2103 H   0  0  0  0  0
    7.2649    3.3340   -2.1367 H   0  0  0  0  0
    7.1782    4.9139   -1.3394 H   0  0  0  0  0
    4.7509    3.7600   -2.0119 H   0  0  0  0  0
    4.3815    0.3377   -2.0469 H   0  0  0  0  0
    4.3901   -0.2933   -0.4247 H   0  0  0  0  0
    6.9291   -3.0784   -0.8246 H   0  0  0  0  0
    4.8491   -3.2696   -4.7910 H   0  0  0  0  0
    1.9429   -4.0928   -5.1961 H   0  0  0  0  0
    0.8643   -3.2936   -4.0594 H   0  0  0  0  0
    1.6670   -6.2597   -4.0187 H   0  0  0  0  0
    1.1529   -5.9274   -1.7205 H   0  0  0  0  0
   -1.5296   -6.5085   -1.8518 H   0  0  0  0  0
   -1.8742   -5.2457   -3.8169 H   0  0  0  0  0
   -3.5910   -5.5967   -5.0634 H   0  0  0  0  0
   -4.9930   -7.0035   -6.5323 H   0  0  0  0  0
   -2.1210  -10.0323   -6.1263 H   0  0  0  0  0
   -0.0082   -8.2580   -3.3883 H   0  0  0  0  0
    0.5745   -3.8301   -1.5951 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 43  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  5 44  1  0  0  0
  6  7  1  0  0  0
  6 15  1  0  0  0
  6 45  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 46  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
  9 47  1  0  0  0
 10 11  1  0  0  0
 10 48  1  0  0  0
 11 49  1  0  0  0
 12 50  1  0  0  0
 13 14  1  0  0  0
 13 51  1  0  0  0
 13 52  1  0  0  0
 14 53  1  0  0  0
 15 16  1  0  0  0
 15 54  1  0  0  0
 15 55  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 56  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 57  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 58  1  0  0  0
 24 59  1  0  0  0
 25 29  1  0  0  0
 25 26  1  0  0  0
 25 60  1  0  0  0
 26 27  1  0  0  0
 26 39  1  0  0  0
 26 61  1  0  0  0
 27 28  1  0  0  0
 27 38  1  0  0  0
 27 62  1  0  0  0
 28 29  1  0  0  0
 28 30  1  0  0  0
 28 63  1  0  0  0
 30 31  1  0  0  0
 30 36  1  0  0  0
 31 32  2  0  0  0
 31 64  1  0  0  0
 32 33  1  0  0  0
 32 65  1  0  0  0
 33 35  1  0  0  0
 33 34  2  0  0  0
 35 36  1  0  0  0
 35 66  1  0  0  0
 36 37  2  0  0  0
 38 67  1  0  0  0
 39 68  1  0  0  0
M  END

>  <Chemical Name>
UDM

>  <PubChem CID>
6914576

>  <Formula>
C18H29N3O16P2

>  <Molecular Weight>
605.383000

>  <IUPAC Name>
[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyphosphinic acid

>  <XlogP>
-6.8

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
16

>  <Canonical SMILES>
CC(=O)NC1C(OC(C(C1O)O)CO)CP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O

>  <Isomeric SMILES>
CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO)CP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O

>  <InChI Std. ID>
InChI=1S/C18H29N3O16P2/c1-7(23)19-12-10(35-8(4-22)13(25)15(12)27)6-38(30,31)37-39(32,33)34-5-9-14(26)16(28)17(36-9)21-3-2-11(24)20-18(21)29/h2-3,8-10,12-17,22,25-28H,4-6H2,1H3,(H,19,23)(H,30,31)(H,32,33)(H,20,24,29)/t8-,9-,10-,12+,13-,14-,15-,16-,17-/m1/s1

>  <InChI Key>
KUFKOJZYUNOEES-DLLWPQOWSA-N

