70640589
  -OEChem-04242423422D

 36 38  0     1  0  0  0  0  0999 V2000
    5.9405    0.8252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4026    1.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6651    2.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.4327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    3.0874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.0422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917    2.1358    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4026    1.3278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9889    0.5178    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9422    1.8252    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7523    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9040    2.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1220    1.8807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309    2.5735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266    0.0786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4942    1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0999    2.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070    2.8430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1000    3.5474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0781    3.2174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.2374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415    2.5055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5950    2.7339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3666    1.8874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1674    2.3668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.5474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.5474    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  6  0  0  0
  2 18  1  0  0  0  0
  3 14  1  0  0  0  0
  3 33  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
 10  5  1  6  0  0  0
  5 27  1  0  0  0  0
  5 28  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 20  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  2  0  0  0  0
  9 19  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  1  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 29  1  0  0  0  0
 17 19  2  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70640589

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
348

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzsAAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCAAACDzhlwYH8L9MFgCgAQZhZACAgC0REKABUKAoVBCDWAJAyEAfRAgPEALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2S,3R,4R)-3-amino-5-(6-aminopurin-9-yl)-4-methoxy-tetrahydrofuran-2-yl]methanol

> <PUBCHEM_IUPAC_CAS_NAME>
[(2S,3R,4R)-3-amino-5-(6-aminopurin-9-yl)-4-methoxy-2-oxolanyl]methanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>S</I>,3<I>R</I>,4<I>R</I>)-3-amino-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methanol

> <PUBCHEM_IUPAC_NAME>
[(2S,3R,4R)-3-amino-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2S,3R,4R)-5-(6-aminopurin-9-yl)-3-azanyl-4-methoxy-oxolan-2-yl]methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2S,3R,4R)-5-adenin-9-yl-3-amino-4-methoxy-tetrahydrofuran-2-yl]methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H16N6O3/c1-19-8-6(12)5(2-18)20-11(8)17-4-16-7-9(13)14-3-15-10(7)17/h3-6,8,11,18H,2,12H2,1H3,(H2,13,14,15)/t5-,6-,8-,11?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
VIEMRHCKBJXZFL-BNUQLRHWSA-N

> <PUBCHEM_XLOGP3>
-0.8

> <PUBCHEM_EXACT_MASS>
280.12838839

> <PUBCHEM_MOLECULAR_FORMULA>
C11H16N6O3

> <PUBCHEM_MOLECULAR_WEIGHT>
280.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CO[C@@H]1[C@@H]([C@H](OC1N2C=NC3=C(N=CN=C32)N)CO)N

> <PUBCHEM_CACTVS_TPSA>
134

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
280.12838839

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
13  14  5
15  17  8
17  19  8
11  2  6
12  4  3
4  15  8
4  16  8
10  5  6
6  16  8
6  17  8
7  15  8
7  20  8
8  19  8
8  20  8

$$$$