23669773
  -OEChem-04262422302D

 34 36  0     1  0  0  0  0  0999 V2000
    3.5000   -0.2255    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000   -1.0916    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.1783   -1.5303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660    0.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4889    1.0297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.2255    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0000    0.6405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.7255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917   -1.2255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1393    1.0577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8341    1.4149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9908    0.1257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -0.2255    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2320   -1.2255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1783    0.0792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7619   -0.7255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3660   -1.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3455    0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3455   -1.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2960   -0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0403    0.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8836    1.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3220    0.6197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3220   -2.0708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7908    0.1754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0436   -1.2778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9675   -2.2005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7646   -2.2005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0749    1.4912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1529   -2.1196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7557    2.3322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4523    0.5398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1187   -0.4810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  3 15  1  0  0  0  0
  3 17  1  0  0  0  0
  4 14  1  0  0  0  0
  5 18  1  0  0  0  0
 16  6  1  1  0  0  0
  6 30  1  0  0  0  0
 17  9  1  6  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 20  2  0  0  0  0
 10 21  1  0  0  0  0
 11 19  2  0  0  0  0
 11 23  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  2  0  0  0  0
 13 22  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  6  0  0  0
 15 18  1  0  0  0  0
 15 25  1  1  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  2  0  0  0  0
 23 32  1  0  0  0  0
M  CHG  2   2   1   7  -1
M  END
> <PUBCHEM_COMPOUND_CID>
23669773

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
504

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuCIAAAAAAAAAAAAAAAAAAWJAAAAsSAAAAAAAAFgB+AAAHgAQCCAACBzhlwYF8L9MFxCgQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;(4<I>a</I><I>R</I>,6<I>R</I>,7<I>R</I>,7<I>a</I><I>S</I>)-6-(6-aminopurin-9-yl)-2-oxido-2-oxo-4<I>a</I>,6,7,7<I>a</I>-tetrahydro-4<I>H</I>-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

> <PUBCHEM_IUPAC_NAME>
sodium;(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-oxidanidyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;(4aR,6R,7R,7aS)-6-adenin-9-yl-2-keto-2-oxido-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H12N5O6P.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7;/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1

> <PUBCHEM_IUPAC_INCHIKEY>
BXJBFCKTIWRKMQ-MCDZGGTQSA-M

> <PUBCHEM_EXACT_MASS>
351.03446437

> <PUBCHEM_MOLECULAR_FORMULA>
C10H11N5NaO6P

> <PUBCHEM_MOLECULAR_WEIGHT>
351.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)[O-].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)[O-].[Na+]

> <PUBCHEM_CACTVS_TPSA>
158

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
351.03446437

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
2  7  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  20  8
10  21  8
11  19  8
11  23  8
12  22  8
12  23  8
14  24  6
15  25  5
19  21  8
21  22  8
16  6  5
17  9  6
9  19  8
9  20  8

$$$$