25245584
  -OEChem-05012417232D

 34 36  0     1  0  0  0  0  0999 V2000
    4.4026    1.1580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7485    0.0662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7066    3.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7523    2.2418    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.6025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.2120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9422    1.6554    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9405    0.6554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9917    1.9660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9889    0.3480    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6844    2.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8463    2.2679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4934    0.9359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3795    2.0641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266   -0.0911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2545    2.6053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3887    2.7440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1158    1.7396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2985    3.0029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7071    3.5372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6826   -0.5503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.4072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5160    3.7172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.7172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.7172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
 11  2  1  1  0  0  0
  2 29  1  0  0  0  0
  3 14  1  0  0  0  0
  3 31  1  0  0  0  0
  4 10  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 13  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 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  6  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 19 32  1  0  0  0  0
M  CHG  1   4   1
M  END
> <PUBCHEM_COMPOUND_CID>
25245584

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
334

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsAAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCAAACDzhlwYF8L9MFgCgAQZhZACAgC0REKABUKAoVBCDWAJAyEAfRAgPEALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]ammonium

> <PUBCHEM_IUPAC_CAS_NAME>
[(2S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]ammonium

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>S</I>,4<I>R</I>)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]azanium

> <PUBCHEM_IUPAC_NAME>
[(2S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]azanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2S,4R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]azanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2S,4R)-5-adenin-9-yl-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]ammonium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14N6O3/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/p+1/t4-,5?,7-,10?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ILDPUOKUEKVHIL-HOGMLXFGSA-O

> <PUBCHEM_XLOGP3>
-1.3

> <PUBCHEM_EXACT_MASS>
267.12056336

> <PUBCHEM_MOLECULAR_FORMULA>
C10H15N6O3+

> <PUBCHEM_MOLECULAR_WEIGHT>
267.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)[NH3+])O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=NC(=C2C(=N1)N(C=N2)C3[C@@H](C([C@H](O3)CO)[NH3+])O)N

> <PUBCHEM_CACTVS_TPSA>
147

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
267.12056336

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
12  14  6
15  17  8
17  18  8
11  2  5
10  4  3
13  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

$$$$