657237
  -OEChem-04262412372D

 32 34  0     1  0  0  0  0  0999 V2000
    2.0000   -0.6734    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2686    0.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6146   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6183    1.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2208    3.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.4782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8066    0.3892    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8550    0.0818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8083    1.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8578    1.6999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5504    2.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3595    0.6697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2926   -0.3573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3602    1.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2456    1.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1695    3.1407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0025    2.3613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1814    0.0512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1843    1.7224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479   -1.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0302    3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
 11  3  1  6  0  0  0
  3 27  1  0  0  0  0
 13  4  1  1  0  0  0
  4 28  1  0  0  0  0
  5 15  1  0  0  0  0
  5 30  1  0  0  0  0
 12  6  1  6  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 17  2  0  0  0  0
  7 18  1  0  0  0  0
  8 16  2  0  0  0  0
  8 20  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 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  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  6  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
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
657237

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
367

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuQAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHwAQCAAACBzhlwYF8L9MFgCgAQZhZACAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3S,4S,5R)-2-(6-amino-2-fluoro-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,3S,4S,5R)-2-(6-amino-2-fluoro-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol

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

> <PUBCHEM_IUPAC_NAME>
(2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3S,4S,5R)-2-(6-azanyl-2-fluoranyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,3S,4S,5R)-2-(6-amino-2-fluoro-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HBUBKKRHXORPQB-FJFJXFQQSA-N

> <PUBCHEM_XLOGP3>
-0.6

> <PUBCHEM_EXACT_MASS>
285.08733204

> <PUBCHEM_MOLECULAR_FORMULA>
C10H12FN5O4

> <PUBCHEM_MOLECULAR_WEIGHT>
285.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)F)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)F)N

> <PUBCHEM_CACTVS_TPSA>
140

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
285.08733204

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
14  15  6
16  18  8
18  19  8
11  3  6
13  4  5
12  6  6
6  16  8
6  17  8
7  17  8
7  18  8
8  16  8
8  20  8
9  19  8
9  20  8

$$$$