6303
  -OEChem-05132419382D

 31 33  0     1  0  0  0  0  0999 V2000
    5.9405    0.7140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4026    1.2184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495    3.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.5439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.1534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.4066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4026    1.2166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9917    2.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9422    1.7140    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7523    2.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266   -0.0325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1220    1.7696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2449    2.5906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4553    2.3356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4942    1.4316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0231    1.7426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3486    2.4702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.3486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0935    1.7558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1517    3.6586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.6586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.6586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
 10  2  1  6  0  0  0
  2 27  1  0  0  0  0
  3 13  1  0  0  0  0
  3 28  1  0  0  0  0
  9  4  1  1  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 15  2  0  0  0  0
  5 16  1  0  0  0  0
  6 14  2  0  0  0  0
  6 18  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  2  0  0  0  0
  8 17  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  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
 11 22  1  0  0  0  0
 12 13  1  1  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 18 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6303

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
307

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsAAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCAAACBzhlwYF8L9MFgCgAQZhZACAgC0REKABUCAoVBCDWAJAyEAeRAgNAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OFEZSBMBBKLLBJ-BAJZRUMYSA-N

> <PUBCHEM_XLOGP3>
-1.2

> <PUBCHEM_EXACT_MASS>
251.10183929

> <PUBCHEM_MOLECULAR_FORMULA>
C10H13N5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
251.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)CO

> <PUBCHEM_CACTVS_TPSA>
119

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
251.10183929

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <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>
12  13  5
14  16  8
16  17  8
10  2  6
4  14  8
4  15  8
9  4  5
5  15  8
5  16  8
6  14  8
6  18  8
7  17  8
7  18  8

$$$$