
 CHEMBL594065

 60 62  0  0  0  0  0  0  0  0999 V2000
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    6.8310    9.1299   -1.5008 O   0  0  0  0  0
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    5.6645    3.9005    0.4070 H   0  0  0  0  0
    6.7333    2.6500    1.0843 H   0  0  0  0  0
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    2.7757    7.0768    3.3360 H   0  0  0  0  0
    5.0580    7.3049   -0.6812 H   0  0  0  0  0
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    3.4793   -1.1053    2.4069 H   0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL594065

>  <PubChem CID>
46226454

>  <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,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate

>  <XlogP>
-6.900

>  <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)OCC3C(C(C(C(O3)O)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)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O)O)O)O)O)O

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

>  <InChI Key>
BIYAWWLTVPCMIC-VQFSATMJSA-N

