
 CHEMBL215783

 47 48  0  0  0  0  0  0  0  0999 V2000
    0.2478   -0.6480    4.3175 C   0  0  0  0  0
    0.8637   -1.0627    3.0717 N   0  0  0  0  0
    0.0777   -1.1231    1.9381 C   0  0  0  0  0
   -1.1156   -0.8382    1.8834 O   0  0  0  0  0
    0.7571   -1.5509    0.7094 C   0  0  0  0  0
    2.0452   -1.8818    0.7558 C   0  0  0  0  0
    2.7833   -1.8397    1.9240 N   0  0  0  0  0
    2.2280   -1.3456    3.1028 C   0  0  0  0  0
    2.8916   -1.1888    4.1308 O   0  0  0  0  0
    4.2327   -2.1134    1.8513 C   0  0  0  0  0
    4.9647   -2.6452    3.1169 C   0  0  0  0  0
    6.0718   -3.4741    2.4892 C   0  0  0  0  0
    5.2961   -4.1373    1.3505 C   0  0  0  0  0
    4.4893   -3.0811    0.7895 O   0  0  0  0  0
    6.1330   -4.8089    0.2644 C   0  0  0  0  0
    7.1075   -3.9115   -0.2570 O   0  0  0  0  0
    8.1404   -4.4629   -1.3603 P   0  0  0  0  0
    9.1881   -3.4777   -1.7485 O   0  0  0  0  0
    8.7645   -5.7495   -0.6466 O   0  0  0  0  0
    7.2493   -5.0278   -2.5435 O   0  0  0  0  0
    7.8384   -5.6641   -3.8721 P   0  0  0  0  0
    8.6190   -6.9310   -3.7314 O   0  0  0  0  0
    6.5166   -5.8383   -4.7622 O   0  0  0  0  0
    8.6146   -4.5100   -4.6325 O   0  0  0  0  0
    9.4719   -4.8219   -5.9325 P   0  0  0  0  0
    8.7200   -5.2285   -7.1498 O   0  0  0  0  0
   10.3253   -3.4870   -6.1384 O   0  0  0  0  0
   10.5997   -5.8430   -5.4557 O   0  0  0  0  0
    7.1122   -2.5947    2.0544 O   0  0  0  0  0
    4.1606   -3.5116    3.9285 O   0  0  0  0  0
   -0.8252   -0.4670    4.2149 H   0  0  0  0  0
    0.7339    0.2674    4.6692 H   0  0  0  0  0
    0.4043   -1.4315    5.0666 H   0  0  0  0  0
    0.1732   -1.5801   -0.2008 H   0  0  0  0  0
    2.5555   -2.1934   -0.1516 H   0  0  0  0  0
    4.7126   -1.1806    1.5273 H   0  0  0  0  0
    5.3476   -1.8299    3.7367 H   0  0  0  0  0
    6.5025   -4.2158    3.1685 H   0  0  0  0  0
    4.5983   -4.8844    1.7511 H   0  0  0  0  0
    5.4844   -5.1311   -0.5567 H   0  0  0  0  0
    6.6373   -5.6832    0.6877 H   0  0  0  0  0
    9.6314   -5.5392   -0.2479 H   0  0  0  0  0
    6.0537   -5.0027   -4.9521 H   0  0  0  0  0
   10.8445   -3.5257   -6.9612 H   0  0  0  0  0
   10.2417   -6.7330   -5.2490 H   0  0  0  0  0
    7.2262   -2.7102    1.0901 H   0  0  0  0  0
    3.6076   -2.9018    4.4631 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  2  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
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 15 16  1  0  0  0
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 16 17  1  0  0  0
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 17 19  1  0  0  0
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 20 21  1  0  0  0
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 21 22  2  0  0  0
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 30 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL215783

>  <PubChem CID>
44417696

>  <Formula>
C10H17N2O15P3

>  <Molecular Weight>
498.166000

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

>  <XlogP>
-6.0

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
15

>  <Canonical SMILES>
CN1C(=O)C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

>  <Isomeric SMILES>
CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

>  <InChI Std. ID>
InChI=1S/C10H17N2O15P3/c1-11-6(13)2-3-12(10(11)16)9-8(15)7(14)5(25-9)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,22,23)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1

>  <InChI Key>
JHGDTDPUVDFPIL-ZOQUXTDFSA-N

