71296893
  -OEChem-05072407512D

 34 35  0     1  0  0  0  0  0999 V2000
    7.5490    4.3726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0110    4.8770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2579    6.9537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2867    3.1147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2867    1.5053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4745    3.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6084    1.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4745    0.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5974    4.0652    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0110    4.8753    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6002    5.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5507    5.3726    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3607    5.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3405    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8703    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3405    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4745    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6084    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0350    3.6261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7305    5.4282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8533    6.2492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0638    5.9942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1026    5.0902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6316    5.4013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9570    6.1289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7019    5.4145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4903    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7601    7.3173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0715    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0114    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    3.7189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
  2 27  1  0  0  0  0
  3 14  1  0  0  0  0
  3 29  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 16  2  0  0  0  0
  6 17  1  0  0  0  0
  7 15  2  0  0  0  0
  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  2  0  0  0  0
  9 18  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 19 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71296893

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
307

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCAAACBzhlwYF8L9MFgCgAQZhZACAgC0REKABUCAoVBCDWAJAyEAeRAgNAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol;hydrate

> <PUBCHEM_IUPAC_CAS_NAME>
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-oxolanol;hydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydrate

> <PUBCHEM_IUPAC_NAME>
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-adenin-9-yl-5-methylol-tetrahydrofuran-3-ol;hydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H13N5O3.H2O/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10;/h3-6,10,16-17H,1-2H2,(H2,11,12,13);1H2

> <PUBCHEM_IUPAC_INCHIKEY>
DGSOIJWNAUUBKY-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
269.11240398

> <PUBCHEM_MOLECULAR_FORMULA>
C10H15N5O4

> <PUBCHEM_MOLECULAR_WEIGHT>
269.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO.O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO.O

> <PUBCHEM_CACTVS_TPSA>
120

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
269.11240398

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
13  14  3
15  17  8
17  18  8
11  2  3
10  5  3
5  15  8
5  16  8
6  16  8
6  17  8
7  15  8
7  19  8
8  18  8
8  19  8

$$$$