
 CHEMBL595940

 59 61  0  0  0  0  0  0  0  0999 V2000
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    5.0536   10.0759   -6.1914 C   0  0  0  0  0
    3.8333    9.4718   -6.9282 C   0  0  0  0  0
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    3.2849   10.3277   -7.9883 N   0  0  0  0  0
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    1.4875   11.6009   -8.8823 C   0  0  0  0  0
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    1.8916   12.6322  -10.9539 O   0  0  0  0  0
    3.5547   11.3501  -10.0736 N   0  0  0  0  0
    4.0901   10.5464   -9.0992 C   0  0  0  0  0
    5.2248   10.0943   -9.2194 O   0  0  0  0  0
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    5.3856    8.0723   -4.8746 O   0  0  0  0  0
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   -2.5528    4.3711   -6.0832 O   0  0  0  0  0
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    0.1737    2.6972   -6.2781 H   0  0  0  0  0
   -0.1526    5.6584   -5.6208 H   0  0  0  0  0
   -2.0561    5.1754   -4.2813 H   0  0  0  0  0
   -1.7053    2.1899   -4.8748 H   0  0  0  0  0
   -0.9763    1.9967   -2.4966 H   0  0  0  0  0
    0.8894    2.4204   -4.1109 H   0  0  0  0  0
    4.1872    1.9816   -3.1532 H   0  0  0  0  0
    4.7511    6.5815   -1.8406 H   0  0  0  0  0
    3.1703    8.9942   -2.5574 H   0  0  0  0  0
    1.6997    8.7746   -3.5447 H   0  0  0  0  0
    3.1216   10.5827   -4.4423 H   0  0  0  0  0
    5.4626    9.9493   -4.0372 H   0  0  0  0  0
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    4.6413   11.8680   -6.8636 H   0  0  0  0  0
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   -3.2394    3.4011   -2.8708 H   0  0  0  0  0
   -3.4215    4.0485   -5.7676 H   0  0  0  0  0
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  6  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL595940

>  <PubChem CID>
11146048

>  <Formula>
C15H24N2O16P2

>  <Molecular Weight>
550.303000

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

>  <XlogP>
-6.1

>  <Hydrogen Bond Donors>
8

>  <Hydrogen Bond Acceptors>
16

>  <Canonical SMILES>
CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O

>  <Isomeric SMILES>
C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O

>  <InChI Std. ID>
InChI=1S/C15H24N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,8-14,19-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1

>  <InChI Key>
DRDCJEIZVLVWNC-ABVWGUQPSA-N

