11764274
  -OEChem-05142413202D

 74 73  0     1  0  0  0  0  0999 V2000
    7.3909    6.0762    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.5555    4.6672    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    8.9732    5.3717    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.0643    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.9194   15.1285    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.9194   17.6285    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5643    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.5298    8.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7256    3.1537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    6.7807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4655    1.8936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9608    8.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2256    0.6148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8031    6.8852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1433    3.8582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9787    5.2672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9677    5.4762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4529   10.1285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4505    0.2463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1999    6.6640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3645    5.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5819    5.4884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465    4.0794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208   13.1285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8389    0.9666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0778    4.3772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8687    6.3662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208   10.1285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9857    1.8936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5868   11.6285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1447    0.6065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    7.5897    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4166    2.2026    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9118    8.5407    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2256    1.6148    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2208    7.5897    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7256    3.1537    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7208    9.1285    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0346    2.2026    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8086    6.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1378    3.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5868   10.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8548   10.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1936    0.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7288    2.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8548   11.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6799    2.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208   12.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8878    1.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6085    7.6867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9782    2.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8148    9.1531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7780    1.3334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8332    7.6867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0071    3.7061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1684    9.4100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4730    2.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2514    6.5089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9795    6.1847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6951    4.2345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9669    4.5587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8852    6.2143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3366    1.2872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    8.4349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6887    0.3048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3179   10.3185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5999    3.1692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1238   11.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3179   11.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2736    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1406    2.6686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1351    7.2806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2997    5.8716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5762    4.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 16  1  0  0  0  0
  1 20  1  0  0  0  0
  1 22  2  0  0  0  0
  2 15  1  0  0  0  0
  2 17  1  0  0  0  0
  2 21  1  0  0  0  0
  2 23  2  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  2  0  0  0  0
  8 36  1  0  0  0  0
  8 38  1  0  0  0  0
  9 37  1  0  0  0  0
  9 39  1  0  0  0  0
 32 10  1  1  0  0  0
 10 62  1  0  0  0  0
 33 11  1  6  0  0  0
 11 63  1  0  0  0  0
 34 12  1  1  0  0  0
 12 64  1  0  0  0  0
 35 13  1  6  0  0  0
 13 65  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 18 42  2  0  0  0  0
 19 44  2  0  0  0  0
 20 72  1  0  0  0  0
 21 73  1  0  0  0  0
 24 48  2  0  0  0  0
 25 49  2  0  0  0  0
 26 74  1  0  0  0  0
 38 28  1  6  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
 39 29  1  1  0  0  0
 29 44  1  0  0  0  0
 29 45  1  0  0  0  0
 30 42  1  0  0  0  0
 30 48  1  0  0  0  0
 30 68  1  0  0  0  0
 31 44  1  0  0  0  0
 31 49  1  0  0  0  0
 31 70  1  0  0  0  0
 32 34  1  0  0  0  0
 32 36  1  0  0  0  0
 32 50  1  0  0  0  0
 33 35  1  0  0  0  0
 33 37  1  0  0  0  0
 33 51  1  0  0  0  0
 34 38  1  0  0  0  0
 34 52  1  0  0  0  0
 35 39  1  0  0  0  0
 35 53  1  0  0  0  0
 36 40  1  6  0  0  0
 36 54  1  0  0  0  0
 37 41  1  1  0  0  0
 37 55  1  0  0  0  0
 38 56  1  0  0  0  0
 39 57  1  0  0  0  0
 40 58  1  0  0  0  0
 40 59  1  0  0  0  0
 41 60  1  0  0  0  0
 41 61  1  0  0  0  0
 43 46  2  0  0  0  0
 43 66  1  0  0  0  0
 45 47  2  0  0  0  0
 45 67  1  0  0  0  0
 46 48  1  0  0  0  0
 46 69  1  0  0  0  0
 47 49  1  0  0  0  0
 47 71  1  0  0  0  0
M  CHG  4   4   1   5   1   6   1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
11764274

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1320

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
20

> <PUBCHEM_CACTVS_HBOND_DONOR>
9

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7vjMAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tetrasodium;bis[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
tetrasodium;bis[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] hydrogen phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
tetrasodium;bis[[(2<I>R</I>,3<I>S</I>,4<I>R</I>,5<I>R</I>)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

> <PUBCHEM_IUPAC_NAME>
tetrasodium;bis[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tetrasodium;bis[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetrasodium;bis[[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H25N4O20P3.4Na/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(39-15)5-37-43(31,32)41-45(35,36)42-44(33,34)38-6-8-12(26)14(28)16(40-8)22-4-2-10(24)20-18(22)30;;;;/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,19,23,29)(H,20,24,30);;;;/q;4*+1/t7-,8-,11-,12-,13-,14-,15-,16-;;;;/m1..../s1

> <PUBCHEM_IUPAC_INCHIKEY>
ZSJNTYBPSCJDLC-FNXFGIETSA-N

> <PUBCHEM_EXACT_MASS>
801.9865773

> <PUBCHEM_MOLECULAR_FORMULA>
C18H25N4Na4O20P3+4

> <PUBCHEM_MOLECULAR_WEIGHT>
802.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O.[Na+].[Na+].[Na+].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O.[Na+].[Na+].[Na+].[Na+]

> <PUBCHEM_CACTVS_TPSA>
347

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
801.9865773

> <PUBCHEM_TOTAL_CHARGE>
4

> <PUBCHEM_HEAVY_ATOM_COUNT>
49

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
8

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
5

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
32  10  5
33  11  6
34  12  5
35  13  6
38  28  6
28  42  8
28  43  8
39  29  5
29  44  8
29  45  8
30  42  8
30  48  8
31  44  8
31  49  8
36  40  6
37  41  5
43  46  8
45  47  8
46  48  8
47  49  8

$$$$