93003
  -OEChem-02281210082D

 30 32  0     1  0  0  0  0  0999 V2000
    2.8660   -3.5622    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4026    1.0030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7485   -0.0888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7523    2.0868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7066    2.9722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.7575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.3670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405    0.5004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9889    0.1930    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9422    1.5004    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9917    1.8110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6844    2.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4934    0.7809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266   -0.2461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8463    2.1129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3795    1.9091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2985    2.8479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7071    3.3822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3154    0.1624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6886    2.7035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.5622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5160    3.5622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
 10  3  1  1  0  0  0
  3 26  1  0  0  0  0
 12  4  1  1  0  0  0
  4 27  1  0  0  0  0
  5 14  1  0  0  0  0
  5 29  1  0  0  0  0
 11  6  1  6  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 16  2  0  0  0  0
  7 17  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  2  0  0  0  0
  9 18  2  0  0  0  0
  9 19  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 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  6  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  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
93003

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
339

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAAEAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgIACAAACB7hlyYF8L8MFgCgAQZhZACAgC0RFKABUCAoVhCDWAJAyEBeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H11ClN4O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2/t4-,6-,7-,10-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
XHRJGHCQQPETRH-KQYNXXCUSA-N

> <PUBCHEM_XLOGP3>
0.3

> <PUBCHEM_EXACT_MASS>
286.046883

> <PUBCHEM_MOLECULAR_FORMULA>
C10H11ClN4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
286.67174

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=NC2=C(C(=N1)Cl)N=CN2C3C(C(C(O3)CO)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=NC2=C(C(=N1)Cl)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

> <PUBCHEM_CACTVS_TPSA>
114

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
286.046883

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
13  14  6
15  17  8
17  18  8
10  3  5
12  4  5
11  6  6
6  15  8
6  16  8
7  16  8
7  17  8
8  15  8
8  19  8
9  18  8
9  19  8

$$$$