70640533
  -OEChem-05032419482D

 31 33  0     1  0  0  0  0  0999 V2000
    4.6844    3.3174    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405    1.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4026    1.5596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6651    2.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.2027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.8122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.7478    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4026    1.5578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9917    2.3658    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9422    2.0552    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7523    2.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266    0.3087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1220    2.1108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309    2.8035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4942    1.7728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0999    3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070    3.0730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0935    2.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.0074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1674    2.5968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.3174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.3174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
 11  3  1  6  0  0  0
  3 26  1  0  0  0  0
  4 14  1  0  0  0  0
  4 28  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 30  1  0  0  0  0
  9 31  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
 13 14  1  1  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 19 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70640533

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
338

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsQAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHwAQCAAACBzhlwYF8L9MFgCgAQZhZACAgC0REKABUCAoVBCDWAJAyEAeRAgNAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3S,4S,5R)-2-(6-aminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(3S,4S,5R)-2-(6-aminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)-3-oxolanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>S</I>,4<I>S</I>,5<I>R</I>)-2-(6-aminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol

> <PUBCHEM_IUPAC_NAME>
(3S,4S,5R)-2-(6-aminopurin-9-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S,4S,5R)-2-(6-aminopurin-9-yl)-4-fluoranyl-5-(hydroxymethyl)oxolan-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3S,4S,5R)-2-adenin-9-yl-4-fluoro-5-methylol-tetrahydrofuran-3-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H12FN5O3/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,1H2,(H2,12,13,14)/t4-,5-,7-,10?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
QCDAWXDDXYQEJJ-FWJKGUHCSA-N

> <PUBCHEM_XLOGP3>
-0.6

> <PUBCHEM_EXACT_MASS>
269.09241742

> <PUBCHEM_MOLECULAR_FORMULA>
C10H12FN5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
269.23

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

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

> <PUBCHEM_CACTVS_TPSA>
119

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
269.09241742

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
12  1  6
13  14  5
15  17  8
17  18  8
11  3  6
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

$$$$