32744
  -OEChem-05082405292D

 71 74  0     1  0  0  0  0  0999 V2000
   11.6786    8.0184    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8909    1.4384    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.0338    4.5653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0298    3.9029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3798    3.4734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3835    5.6490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1330    2.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4608    4.2120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9860    7.0669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3031    2.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9529    5.4907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3713    8.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6302    8.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4787    0.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6999    2.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7270    7.7111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4973    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0819    0.8506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3095    2.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208    5.4907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3095    1.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4973    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0868    6.9907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6312    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208    8.4907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5718    4.0626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5735    5.0626    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6202    3.7552    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6230    5.3733    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7208    2.9519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4118    3.9029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7208    2.9519    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2208    4.4907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3156    6.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3086    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3633    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8931    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3633    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3548    5.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0868    5.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4973    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3548    6.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6312    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208    7.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1247    4.3431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1254    4.7802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0578    3.3161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0108    5.4713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1085    3.0489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9734    3.4645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3332    3.0489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7732    4.7722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9347    6.8141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7677    6.0348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7514    1.8711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4795    1.5469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9466    3.7246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9495    5.3958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5131    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3852    1.5765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8179    5.6807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4973    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8179    7.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0943    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7869    9.4301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7602    8.9320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6839    8.8007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7578    8.8007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0953    0.6942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6351    2.6428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 16  2  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 18  2  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
 26  5  1  1  0  0  0
  5 57  1  0  0  0  0
 27  6  1  1  0  0  0
  6 58  1  0  0  0  0
 30  7  1  1  0  0  0
  7 60  1  0  0  0  0
 31  8  1  1  0  0  0
  8 61  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 40  2  0  0  0  0
 12 66  1  0  0  0  0
 13 67  1  0  0  0  0
 14 70  1  0  0  0  0
 15 71  1  0  0  0  0
 17 41  2  0  0  0  0
 28 19  1  6  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 33 20  1  6  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 37  2  0  0  0  0
 21 38  1  0  0  0  0
 22 36  1  0  0  0  0
 22 43  1  0  0  0  0
 22 63  1  0  0  0  0
 23 40  1  0  0  0  0
 23 44  2  0  0  0  0
 24 41  1  0  0  0  0
 24 43  2  0  0  0  0
 25 44  1  0  0  0  0
 25 68  1  0  0  0  0
 25 69  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 45  1  0  0  0  0
 27 29  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
 29 34  1  6  0  0  0
 29 48  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 49  1  0  0  0  0
 31 33  1  0  0  0  0
 31 50  1  0  0  0  0
 32 35  1  6  0  0  0
 32 51  1  0  0  0  0
 33 52  1  0  0  0  0
 34 53  1  0  0  0  0
 34 54  1  0  0  0  0
 35 55  1  0  0  0  0
 35 56  1  0  0  0  0
 36 38  2  0  0  0  0
 37 59  1  0  0  0  0
 38 41  1  0  0  0  0
 39 42  2  0  0  0  0
 39 62  1  0  0  0  0
 42 44  1  0  0  0  0
 42 64  1  0  0  0  0
 43 65  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
32744

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1090

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
17

> <PUBCHEM_CACTVS_HBOND_DONOR>
10

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7vgMAAAAAAAAAAAAAAAAAAWJEgAAgQAAAAAAAAEABgAAAHgAQCCAACBzhlgYFsBfMFxCoQSd3dICAgC0XEqAJUIG4VFCDWApAyCAeQIAPFgLTAGDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>R</I>,3<I>S</I>,4<I>R</I>,5<I>R</I>)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2<I>R</I>,3<I>S</I>,4<I>R</I>,5<I>R</I>)-3,4-dihydroxy-5-(6-oxo-3<I>H</I>-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_NAME>
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H13N4O8P.C9H14N3O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,10-;4-,6-,7-,8-/m11/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ACEVNMQDUCOKHT-ZLOOHWKQSA-N

> <PUBCHEM_EXACT_MASS>
671.09895179

> <PUBCHEM_MOLECULAR_FORMULA>
C19H27N7O16P2

> <PUBCHEM_MOLECULAR_WEIGHT>
671.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O.C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O.C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
351

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
671.09895179

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
44

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
28  19  6
19  36  8
19  37  8
33  20  6
20  39  8
20  40  8
21  37  8
21  38  8
22  36  8
22  43  8
23  40  8
23  44  8
24  41  8
24  43  8
29  34  6
32  35  6
36  38  8
38  41  8
39  42  8
42  44  8
26  5  5
27  6  5
30  7  5
31  8  5

$$$$