24867489
  -OEChem-05032420492D

 47 45  0     1  0  0  0  0  0999 V2000
    2.0000   -3.3946    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9134    1.6239    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.2765    3.3174    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.6395    5.0110    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5829    3.6805    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6070    1.2608    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.0026    6.7046    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.3331    4.6480    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.2686   -1.8293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6146   -2.9212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6183   -0.7456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2208    0.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6061    2.5754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8650    1.9312    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9618    1.3165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9469    4.0594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5345    3.9878    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0185    2.6470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3322    5.9626    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.5911    5.3184    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.6879    4.7036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -3.5899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -5.1993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.3946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8066   -2.3320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8083   -1.3320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8550   -2.6393    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8578   -1.0213    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5504   -0.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -4.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7085   -2.9442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3602   -1.6144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2926   -3.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2456   -0.9233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1695    0.4195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0025   -0.3598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1814   -2.6700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1843   -0.9987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479   -4.3946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -6.7046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.7046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 36  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  2  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  2  0  0  0  0
  4 16  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  2  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 27 10  1  1  0  0  0
 10 43  1  0  0  0  0
 28 11  1  6  0  0  0
 11 44  1  0  0  0  0
 12 31  1  0  0  0  0
 29 22  1  6  0  0  0
 22 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 33  2  0  0  0  0
 23 34  1  0  0  0  0
 24 32  2  0  0  0  0
 24 36  1  0  0  0  0
 25 35  1  0  0  0  0
 25 36  2  0  0  0  0
 26 35  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 37  1  0  0  0  0
 28 30  1  0  0  0  0
 28 38  1  0  0  0  0
 29 39  1  0  0  0  0
 30 31  1  6  0  0  0
 30 40  1  0  0  0  0
 31 41  1  0  0  0  0
 31 42  1  0  0  0  0
 32 34  1  0  0  0  0
 33 45  1  0  0  0  0
 34 35  2  0  0  0  0
M  CHG  8   5   1   6   1   7   1   8   1  14  -1  17  -1  19  -1  20  -1
M  END
> <PUBCHEM_COMPOUND_CID>
24867489

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
808

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
17

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzvDMEAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgIQCCAACBzhlwYF8L9MFxCgQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tetrasodium;[[[(2R,3R,4R,5R)-5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
tetrasodium;[[[(2R,3R,4R,5R)-5-(6-amino-2-chloro-9-purinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
tetrasodium;[[[(2<I>R</I>,3<I>R</I>,4<I>R</I>,5<I>R</I>)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

> <PUBCHEM_IUPAC_NAME>
tetrasodium;[[[(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tetrasodium;[[[(2R,3R,4R,5R)-5-(6-azanyl-2-chloranyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetrasodium;[[[(2R,3R,4R,5R)-5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H15ClN5O13P3.4Na/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;;;;/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21);;;;/q;4*+1/p-4/t3-,5+,6-,9-;;;;/m1..../s1

> <PUBCHEM_IUPAC_INCHIKEY>
JGKMWMQAWOVZHJ-REIWBCNDSA-J

> <PUBCHEM_EXACT_MASS>
628.8845512

> <PUBCHEM_MOLECULAR_FORMULA>
C10H11ClN5Na4O13P3

> <PUBCHEM_MOLECULAR_WEIGHT>
629.55

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)Cl)N.[Na+].[Na+].[Na+].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)Cl)N.[Na+].[Na+].[Na+].[Na+]

> <PUBCHEM_CACTVS_TPSA>
290

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
628.8845512

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
27  10  5
28  11  6
29  22  6
22  32  8
22  33  8
23  33  8
23  34  8
24  32  8
24  36  8
25  35  8
25  36  8
30  31  6
32  34  8
34  35  8

$$$$