
 URIDINE-5'-DIPHOSPHATE-MANNOSE

 60 62  0  0  0  0  0  0  0  0999 V2000
   -2.7498    5.3646    0.6270 C   0  0  0  0  0
   -1.6713    5.2378    1.4030 C   0  0  0  0  0
   -1.5857    4.2954    2.4163 N   0  0  0  0  0
   -2.6840    3.5067    2.7381 C   0  0  0  0  0
   -2.7167    2.7054    3.6698 O   0  0  0  0  0
   -3.7763    3.6312    1.9217 N   0  0  0  0  0
   -3.8978    4.4808    0.8627 C   0  0  0  0  0
   -4.8970    4.5287    0.1553 O   0  0  0  0  0
   -0.3913    4.2776    3.2820 C   0  0  0  0  0
    0.0153    2.9363    3.9523 C   0  0  0  0  0
    1.5172    3.0964    4.0684 C   0  0  0  0  0
    1.8173    3.7698    2.7276 C   0  0  0  0  0
    0.7650    4.7314    2.5220 O   0  0  0  0  0
    3.1862    4.4234    2.6419 C   0  0  0  0  0
    4.1691    3.4232    2.8552 O   0  0  0  0  0
    5.7047    3.8372    2.6966 P   0  0  0  0  0
    6.0274    4.7563    1.5715 O   0  0  0  0  0
    6.0111    4.5191    4.1178 O   0  0  0  0  0
    6.5225    2.4839    2.7907 O   0  0  0  0  0
    6.5258    1.4139    1.6247 P   0  0  0  0  0
    5.2303    1.0242    0.9950 O   0  0  0  0  0
    7.4603    2.0862    0.5094 O   0  0  0  0  0
    7.4716    0.2033    2.0825 O   0  0  0  0  0
    7.2914   -0.3992    3.3500 C   0  0  0  0  0
    5.9642   -1.1551    3.4910 C   0  0  0  0  0
    5.8981   -2.2441    2.4138 C   0  0  0  0  0
    7.1291   -3.1661    2.4962 C   0  0  0  0  0
    8.4337   -2.3495    2.5543 C   0  0  0  0  0
    8.3620   -1.3323    3.5824 O   0  0  0  0  0
    9.6582   -3.2199    2.8656 C   0  0  0  0  0
   10.8356   -2.4122    2.8264 O   0  0  0  0  0
    6.9798   -4.0119    3.6456 O   0  0  0  0  0
    4.6821   -2.9913    2.5879 O   0  0  0  0  0
    4.8479   -0.2665    3.4170 O   0  0  0  0  0
    1.8232    3.9378    5.1788 O   0  0  0  0  0
   -0.2468    1.7823    3.1414 O   0  0  0  0  0
   -2.8280    6.0907   -0.1709 H   0  0  0  0  0
   -0.8138    5.8874    1.2482 H   0  0  0  0  0
   -4.5620    3.0300    2.1182 H   0  0  0  0  0
   -0.5545    5.0323    4.0612 H   0  0  0  0  0
   -0.4702    2.8032    4.9244 H   0  0  0  0  0
    2.0470    2.1443    4.1813 H   0  0  0  0  0
    1.7333    3.0261    1.9236 H   0  0  0  0  0
    3.2987    5.2231    3.3805 H   0  0  0  0  0
    3.3195    4.8748    1.6544 H   0  0  0  0  0
    6.8049    5.0830    4.0592 H   0  0  0  0  0
    7.1230    1.8776   -0.3873 H   0  0  0  0  0
    7.3647    0.3777    4.1167 H   0  0  0  0  0
    5.9118   -1.6231    4.4809 H   0  0  0  0  0
    5.8358   -1.7863    1.4199 H   0  0  0  0  0
    7.1415   -3.8398    1.6321 H   0  0  0  0  0
    8.6087   -1.8500    1.5937 H   0  0  0  0  0
    9.7693   -4.0243    2.1342 H   0  0  0  0  0
    9.6000   -3.6530    3.8692 H   0  0  0  0  0
   10.6405   -1.6235    3.3708 H   0  0  0  0  0
    7.2307   -3.5031    4.4422 H   0  0  0  0  0
    4.9435   -3.8955    2.8604 H   0  0  0  0  0
    4.0862   -0.8178    3.1344 H   0  0  0  0  0
    2.7883    3.8847    5.3197 H   0  0  0  0  0
   -1.2011    1.5998    3.2637 H   0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  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 39  1  0  0  0
  7  8  2  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 43  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 14 45  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 46  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 47  1  0  0  0
 23 24  1  0  0  0
 24 29  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 25 34  1  0  0  0
 25 49  1  0  0  0
 26 27  1  0  0  0
 26 33  1  0  0  0
 26 50  1  0  0  0
 27 28  1  0  0  0
 27 32  1  0  0  0
 27 51  1  0  0  0
 28 29  1  0  0  0
 28 30  1  0  0  0
 28 52  1  0  0  0
 30 31  1  0  0  0
 30 53  1  0  0  0
 30 54  1  0  0  0
 31 55  1  0  0  0
 32 56  1  0  0  0
 33 57  1  0  0  0
 34 58  1  0  0  0
 35 59  1  0  0  0
 36 60  1  0  0  0
M  END

>  <Chemical Name>
URIDINE-5'-DIPHOSPHATE-MANNOSE

>  <PubChem CID>
448873

>  <Formula>
C15H24N2O17P2

>  <Molecular Weight>
566.302000

>  <IUPAC Name>
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate

>  <XlogP>
-6.300

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
17

>  <Canonical SMILES>
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)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[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

>  <InChI Std. ID>
InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12+,13-,14-/m1/s1

>  <InChI Key>
HSCJRCZFDFQWRP-NYYOCOOHSA-N

