70789226
  -OEChem-04242420592D

 33 35  0     1  0  0  0  0  0999 V2000
    4.4026    0.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7485   -0.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7523    1.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3548    3.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.4782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.0818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9405    0.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9422    1.3892    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9917    1.6999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6844    2.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6734    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0000   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266   -0.3573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4934    0.6697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4942    1.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3795    1.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3035    3.1407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364    2.3613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3154    0.0512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3182    1.7224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1642    3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
 11  2  1  1  0  0  0
  2 27  1  0  0  0  0
 12  3  1  6  0  0  0
  3 28  1  0  0  0  0
  4 14  1  0  0  0  0
  4 31  1  0  0  0  0
 18  5  1  1  0  0  0
  5 33  1  0  0  0  0
 10  6  1  6  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 15  1  0  0  0  0
  7 19  1  0  0  0  0
  7 30  1  0  0  0  0
  8 16  2  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  2  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  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 29  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70789226

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
370

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAAAAAAAAAAAAAAAAAAAAWJAAAAgAAAAAAAAAEABgAAAHgAQCAAACBzhlgYFsBfMFgCgAQZhZASAgC0REKABUIA4XACDXAJAyAAeQAAPAALTECDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3R,4R,5S)-2-[(6R)-6-hydroxy-3,6-dihydropurin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,3R,4R,5S)-2-[(6R)-6-hydroxy-3,6-dihydropurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>,3<I>R</I>,4<I>R</I>,5<I>S</I>)-2-[(6<I>R</I>)-6-hydroxy-3,6-dihydropurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

> <PUBCHEM_IUPAC_NAME>
(2R,3R,4R,5S)-2-[(6R)-6-hydroxy-3,6-dihydropurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-[(6R)-6-oxidanyl-3,6-dihydropurin-9-yl]oxolane-3,4-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,3R,4R,5S)-2-[(6R)-6-hydroxy-3,6-dihydropurin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,9-10,15-18H,1H2,(H,11,12)/t4-,6-,7+,9+,10+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
WGRXVKRHIMUTPD-DGCCPWOOSA-N

> <PUBCHEM_XLOGP3_AA>
-2.9

> <PUBCHEM_EXACT_MASS>
270.09641956

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14N4O5

> <PUBCHEM_MOLECULAR_WEIGHT>
270.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=NC(C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=N[C@@H](C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O)O

> <PUBCHEM_CACTVS_TPSA>
132

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
270.09641956

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

> <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  5
15  17  8
11  2  5
12  3  6
18  5  5
10  6  6
6  15  8
6  16  8
8  16  8
8  17  8

$$$$