
 CHEMBL1162558

 59 60  0  0  0  0  0  0  0  0999 V2000
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    0.2883   -5.7122    9.0755 C   0  0  0  0  0
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    5.1685   -1.5045    9.0801 N   0  0  0  0  0
    3.8945   -1.3840    9.6061 C   0  0  0  0  0
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    6.0508   -1.3027   11.2366 N   0  0  0  0  0
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    3.9935    3.9385    2.3458 N   0  0  0  0  0
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   -0.5605   -4.0267   10.1216 H   0  0  0  0  0
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   -2.7812   -6.2258    7.9343 H   0  0  0  0  0
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   -2.6638   -3.8930    8.7414 H   0  0  0  0  0
   -2.3091   -4.1107    4.4044 H   0  0  0  0  0
    1.9174   -6.1355    2.5428 H   0  0  0  0  0
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    3.8184    3.6800    3.3158 H   0  0  0  0  0
    4.8863    3.5129    2.0999 H   0  0  0  0  0
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  1 34  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1162558

>  <PubChem CID>
44627697

>  <Formula>
C15H27N3O12P2

>  <Molecular Weight>
503.338000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
13

>  <Canonical SMILES>
C1CCC(CC1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O.N

>  <Isomeric SMILES>
C1CCC(CC1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O.N

>  <InChI Std. ID>
InChI=1S/C15H24N2O12P2.H3N/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(27-14)8-26-30(22,23)29-31(24,25)28-9-4-2-1-3-5-9;/h6-7,9-10,12-14,19-20H,1-5,8H2,(H,22,23)(H,24,25)(H,16,18,21);1H3/t10-,12-,13-,14-;/m1./s1

>  <InChI Key>
NMFAUMODTNUZOS-VNQMUNOFSA-N

