82530
  -OEChem-05302104192D

 35 37  0     1  0  0  0  0  0999 V2000
    5.9405    0.6842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    2.9464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4026    1.1886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6651    1.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.1832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917    1.9948    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4026    1.1869    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9889    0.3768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9422    1.6842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7523    2.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3548    3.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309    2.4325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1220    1.7398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266   -0.0623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4942    1.4018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0999    2.7840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070    2.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0935    1.7261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.3784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8148    3.2728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7704    4.1485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8948    4.1041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1674    2.2258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.6884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.6884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
 10  2  1  6  0  0  0
  2 18  1  0  0  0  0
 11  3  1  6  0  0  0
  3 27  1  0  0  0  0
  4 14  1  0  0  0  0
  4 32  1  0  0  0  0
 12  5  1  1  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 20  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  2  0  0  0  0
  9 19  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  1  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  2  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
82530

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
349

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCAAACBzhlwYH8L9MFgCgAQZhZACAgC0REKABUCAoVBCDWAJAyEAeRAgPAALTACDwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H15N5O4/c1-19-8-5(2-17)20-11(7(8)18)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RYAFZRROCNNRFK-IOSLPCCCSA-N

> <PUBCHEM_XLOGP3>
-1.1

> <PUBCHEM_EXACT_MASS>
281.11240398

> <PUBCHEM_MOLECULAR_FORMULA>
C11H15N5O4

> <PUBCHEM_MOLECULAR_WEIGHT>
281.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO

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

> <PUBCHEM_CACTVS_TPSA>
129

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
281.11240398

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  14  5
15  17  8
17  19  8
10  2  6
11  3  6
12  5  5
5  15  8
5  16  8
6  16  8
6  17  8
7  15  8
7  20  8
8  19  8
8  20  8

$$$$
