71507520
  -OEChem-04162400032D

 74 76  0     1  0  0  0  0  0999 V2000
    8.4752    2.0939    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   13.6438    2.6281    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.1980    2.2720    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.9209    2.4500    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.9405    0.3295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4026    0.8338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    2.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6651    1.5075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2852    2.6803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0615    1.2839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8888    2.9039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7309    3.0364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1109    1.8637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0521    3.5410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2355    1.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6063    3.1848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7897    1.3591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5073    1.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3345    3.2601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.9284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.5379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5353    3.3404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.4481    2.9321    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   22.3610    2.5237    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.4026    0.8321    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9917    1.6401    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9889    0.0221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9422    1.3294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7523    1.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2795    2.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0895    2.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667    2.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0024    2.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5566    2.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8124    3.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7252    2.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1220    1.3850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309    2.0778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266   -0.4171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4942    1.0470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0999    2.4292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070    2.3473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0935    1.3713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000    3.0517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.7332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9319    1.8845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7247    1.9664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4371    3.4976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6443    3.4157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7142    3.3196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9214    3.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6548    2.0625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4476    2.1445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2090    1.7064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0019    1.7883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1600    3.6757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3672    3.5938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.0432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8084    0.7179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3777    2.2406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1705    2.3225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6885    4.0432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2428    3.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2541    1.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  2  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  2  0  0  0  0
  2 41  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  2  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  2  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
 28  6  1  6  0  0  0
  6 51  1  0  0  0  0
 29  7  1  6  0  0  0
  7 52  1  0  0  0  0
  8 32  1  0  0  0  0
 10 69  1  0  0  0  0
 14 72  1  0  0  0  0
 16 73  1  0  0  0  0
 18 74  1  0  0  0  0
 30 20  1  1  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 34  2  0  0  0  0
 21 35  1  0  0  0  0
 22 33  2  0  0  0  0
 22 42  1  0  0  0  0
 23 36  1  0  0  0  0
 23 42  2  0  0  0  0
 24 36  1  0  0  0  0
 24 67  1  0  0  0  0
 24 68  1  0  0  0  0
 25 26  2  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 45  1  0  0  0  0
 29 31  1  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
 31 32  1  1  0  0  0
 31 48  1  0  0  0  0
 32 49  1  0  0  0  0
 32 50  1  0  0  0  0
 33 35  1  0  0  0  0
 34 53  1  0  0  0  0
 35 36  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 54  1  0  0  0  0
 37 55  1  0  0  0  0
 38 40  1  0  0  0  0
 38 56  1  0  0  0  0
 38 57  1  0  0  0  0
 39 41  1  0  0  0  0
 39 58  1  0  0  0  0
 39 59  1  0  0  0  0
 40 43  1  0  0  0  0
 40 60  1  0  0  0  0
 40 61  1  0  0  0  0
 41 62  1  0  0  0  0
 41 63  1  0  0  0  0
 42 64  1  0  0  0  0
 43 44  1  0  0  0  0
 43 65  1  0  0  0  0
 43 66  1  0  0  0  0
 44 70  1  0  0  0  0
 44 71  1  0  0  0  0
M  CHG  2  26   1  27  -1
M  END
> <PUBCHEM_COMPOUND_CID>
71507520

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1210

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
21

> <PUBCHEM_CACTVS_HBOND_DONOR>
7

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
18

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7/AOAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHggYCCAACBzplwYF8L9MFxCiQQZhZICAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACHwsAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-(7-azidoheptyl)phosphinic acid

> <PUBCHEM_IUPAC_CAS_NAME>
[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-(7-azidoheptyl)phosphinic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
[[[[(2<I>R</I>,3<I>S</I>,4<I>R</I>,5<I>R</I>)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-(7-azidoheptyl)phosphinic acid

> <PUBCHEM_IUPAC_NAME>
[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-(7-azidoheptyl)phosphinic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-(7-azidoheptyl)phosphinic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[[[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-(7-azidoheptyl)phosphinic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H30N8O15P4/c18-15-12-16(21-9-20-15)25(10-22-12)17-14(27)13(26)11(37-17)8-36-42(30,31)39-44(34,35)40-43(32,33)38-41(28,29)7-5-3-1-2-4-6-23-24-19/h9-11,13-14,17,26-27H,1-8H2,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H2,18,20,21)/t11-,13-,14-,17-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OWVBGDYBIJTELO-LSCFUAHRSA-N

> <PUBCHEM_XLOGP3>
-3.4

> <PUBCHEM_EXACT_MASS>
710.07811027

> <PUBCHEM_MOLECULAR_FORMULA>
C17H30N8O15P4

> <PUBCHEM_MOLECULAR_WEIGHT>
710.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(CCCCCCCN=[N+]=[N-])O)O)O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(CCCCCCCN=[N+]=[N-])O)O)O)N

> <PUBCHEM_CACTVS_TPSA>
320

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
710.07811027

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
44

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
30  20  5
20  33  8
20  34  8
21  34  8
21  35  8
22  33  8
22  42  8
23  36  8
23  42  8
31  32  5
33  35  8
35  36  8
28  6  6
29  7  6

$$$$