
 CHEMBL595216

 60 62  0  0  0  0  0  0  0  0999 V2000
    5.5869    7.7281   -6.2943 C   0  0  0  0  0
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    4.0792    5.6264    2.7847 O   0  0  0  0  0
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    3.7562    7.4987    4.1198 O   0  0  0  0  0
    4.4348    7.6936    6.4046 C   0  0  0  0  0
    4.5439    7.0462    7.6664 O   0  0  0  0  0
    1.6244    7.0298    6.3192 O   0  0  0  0  0
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    1.1122    5.6262    2.3205 O   0  0  0  0  0
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    5.3731    2.8574   -5.3523 O   0  0  0  0  0
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    3.6219    5.8487   -8.1843 H   0  0  0  0  0
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    7.5378    5.5687   -2.6753 H   0  0  0  0  0
    6.4809    5.1327   -0.4863 H   0  0  0  0  0
    7.6417    3.8588   -0.9236 H   0  0  0  0  0
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    1.8645    4.3589    1.6359 H   0  0  0  0  0
    3.2177    7.3782    2.1467 H   0  0  0  0  0
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    4.4569    2.9587   -5.6918 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL595216

>  <PubChem CID>
46226441

>  <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] [(2S,3R,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-VQFSATMJSA-N

