51573357
  -OEChem-04252401052D

 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
    6.7523    2.2418    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
    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
    6.2619   -1.4072    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
    4.9889    0.3480    0.0000 C   0  0  2  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
    5.9422    1.6554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9917    1.9660    0.0000 C   0  0  2  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
    5.4266   -0.0911    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
    5.8463    2.2679    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
    5.2985    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
    7.3154    0.3174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6886    2.8585    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
    6.5719   -1.9442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5719   -0.8703    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 11  1  0  0  0  0
  1 14  1  0  0  0  0
 12  2  1  6  0  0  0
  2 27  1  0  0  0  0
 13  3  1  1  0  0  0
  3 28  1  0  0  0  0
  4 15  1  0  0  0  0
  4 29  1  0  0  0  0
 11  5  1  1  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 17  2  0  0  0  0
  6 18  1  0  0  0  0
  7 16  2  0  0  0  0
  7 20  1  0  0  0  0
  8 17  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  2  0  0  0  0
 10 19  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  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
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  1  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
51573357

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
363

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCAAACBzhlwYF8L9MFgCgAQZhZACAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,3S,4S,5S)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

> <PUBCHEM_IUPAC_CAS_NAME>
(2S,3S,4S,5S)-2-(6,8-diamino-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>,3<I>S</I>,4<I>S</I>,5<I>S</I>)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

> <PUBCHEM_IUPAC_NAME>
(2S,3S,4S,5S)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S,3S,4S,5S)-2-[6,8-bis(azanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,3S,4S,5S)-2-(6,8-diaminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14N6O4/c11-7-4-8(14-2-13-7)16(10(12)15-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,15)(H2,11,13,14)/t3-,5+,6-,9-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
DVGWFQILDUEEGX-HFXAWCPLSA-N

> <PUBCHEM_XLOGP3>
-1.4

> <PUBCHEM_EXACT_MASS>
282.10765295

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14N6O4

> <PUBCHEM_MOLECULAR_WEIGHT>
282.26

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=NC(=C2C(=N1)N(C(=N2)N)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)N

> <PUBCHEM_CACTVS_TPSA>
166

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
282.10765295

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
14  15  5
16  18  8
18  19  8
12  2  6
13  3  5
11  5  5
5  16  8
5  17  8
6  17  8
6  18  8
7  16  8
7  20  8
9  19  8
9  20  8

$$$$