56974726
  -OEChem-05112407392D

 75 78  0     1  0  0  0  0  0999 V2000
    6.8909   -1.1493    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.4732   -1.8538    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    9.4913   -3.2551    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.5094   -4.6563    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298    1.3152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3555    0.7118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -0.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5954    2.6086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    1.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6645    3.2808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -0.3403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6999   -0.5615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4787   -1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0819   -1.7371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9529    2.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9433   -0.2113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5778   -2.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    5.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9433    1.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4677   -1.7493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3687   -0.8593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048   -3.6618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0846   -4.1686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8980   -2.3415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6139   -5.6508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5039   -4.5518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5148   -4.7609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    2.9030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9433    1.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    4.4030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4433    0.6547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208    0.3642    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4044    2.0208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7208    0.3642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4044    1.0208    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4118    1.3152    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3555    2.3298    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2208    1.9030    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9433    1.5208    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3086   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5954    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4433    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4433    2.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    4.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4433    2.3868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    4.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9433    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085    0.4612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8520    1.7393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332    0.4612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5014    0.4084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148    1.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9171    2.7682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684    2.1845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2247    0.9683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -0.7166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -1.0408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3236    0.9902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9994    0.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -1.0112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6602    3.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2496    3.7416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179    3.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1333    2.9237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    4.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7533    0.1178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179    4.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7533    2.9237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7199   -1.1829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4680   -4.2334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1803   -5.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8683   -5.0534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  2  0  0  0  0
  2 13  1  0  0  0  0
  2 17  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  2  0  0  0  0
  3 17  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  2  0  0  0  0
  4 22  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  2  0  0  0  0
  5 34  1  0  0  0  0
  5 38  1  0  0  0  0
  6 35  1  0  0  0  0
  6 39  1  0  0  0  0
  7 32  1  0  0  0  0
  7 62  1  0  0  0  0
  8 33  1  0  0  0  0
  8 63  1  0  0  0  0
  9 36  1  0  0  0  0
  9 64  1  0  0  0  0
 10 37  1  0  0  0  0
 10 65  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 15 42  2  0  0  0  0
 16 43  2  0  0  0  0
 18 48  2  0  0  0  0
 19 49  2  0  0  0  0
 20 72  1  0  0  0  0
 23 73  1  0  0  0  0
 25 74  1  0  0  0  0
 26 75  1  0  0  0  0
 38 28  1  1  0  0  0
 28 42  1  0  0  0  0
 28 44  1  0  0  0  0
 39 29  1  1  0  0  0
 29 43  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 43  1  0  0  0  0
 31 49  1  0  0  0  0
 31 69  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 40  1  1  0  0  0
 34 52  1  0  0  0  0
 35 41  1  1  0  0  0
 35 53  1  0  0  0  0
 36 38  1  0  0  0  0
 36 54  1  0  0  0  0
 37 39  1  0  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
 44 46  2  0  0  0  0
 44 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 70  1  0  0  0  0
 47 49  1  0  0  0  0
 47 71  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56974726

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1520

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
23

> <PUBCHEM_CACTVS_HBOND_DONOR>
10

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
14

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7vgOAAAAAAAAAAAAAAAAAASJAAAAgQAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAAPABxCIQCFWUICAAAAAAgAIAAAIAECDEAIAgAAOQAAPFyITAMDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis[[(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl] phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
phosphoric acid bis[[(2S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl] [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis[[(2<I>S</I>,5<I>S</I>)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl] [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] phosphate

> <PUBCHEM_IUPAC_NAME>
bis[[(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl] [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl] phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis[[(2S,5S)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl] [oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl] phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
phosphoric acid bis[[(2S,5S)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] [hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-49(38,45-48(36,37)44-47(34,35)43-46(31,32)33)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,34,35)(H,36,37)(H,19,23,29)(H,20,24,30)(H2,31,32,33)/t7-,8-,11?,12?,13?,14?,15-,16-,49?/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
SGQHTOFOVQJGBI-NDEZIHJYSA-N

> <PUBCHEM_XLOGP3_AA>
-9.1

> <PUBCHEM_EXACT_MASS>
789.99383108

> <PUBCHEM_MOLECULAR_FORMULA>
C18H26N4O23P4

> <PUBCHEM_MOLECULAR_WEIGHT>
790.3

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

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

> <PUBCHEM_CACTVS_TPSA>
394

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
789.99383108

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
49

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
37  10  3
38  28  5
28  42  8
28  44  8
39  29  5
29  43  8
29  45  8
30  42  8
30  48  8
31  43  8
31  49  8
34  40  5
35  41  5
44  46  8
45  47  8
46  48  8
47  49  8
32  7  3
33  8  3
36  9  3

$$$$