6021
  -OEChem-02210611242D

 31 33  0     1  0  0  0  0  0999 V2000
    2.0000   -1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    2.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917    1.5449    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9423    1.2342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9405    0.2342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9889   -0.0732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8660   -0.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.6332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.0237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3548    3.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7523    1.8206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7485   -0.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4025    0.7369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3035    2.9857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364    2.2063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3795    1.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8463    1.8467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4934    0.5147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266   -0.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1642    3.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3182    1.5674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3154   -0.1038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  2  0  0  0  0
  1 20  1  0  0  0  0
  2 13  2  0  0  0  0
  2 14  1  0  0  0  0
  2 21  1  0  0  0  0
  7  3  1  6  0  0  0
  3 15  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 12  1  0  0  0  0
  6 18  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  1  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  1  0  0  0
  9 26  1  0  0  0  0
 10 14  1  6  0  0  0
 10 19  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
6021

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQC4c8AAAAAAAAAAAAAAAABAYgEAACAAAAAAAAABQAAAHgAAgAAIEADhHAgAsAUGlgAWzBdxBwGogIAAdKAQFy2ogVABWINAVCDIQAoPgEAeANMCAAow8GAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one

> <PUBCHEM_IUPAC_CAS_NAME>
9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one

> <PUBCHEM_IUPAC_NAME>
9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one

> <PUBCHEM_NIST_INCHI>
InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1/f/h11H

> <PUBCHEM_CACTVS_XLOGP>
-2.198

> <PUBCHEM_OPENEYE_MF>
C10H12N4O5

> <PUBCHEM_OPENEYE_MW>
268.226

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

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

> <PUBCHEM_CACTVS_TPSA>
129.2

> <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>
3

> <PUBCHEM_SUBSTANCE_ID>
148876

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000058639

> <PUBCHEM_SUBSTANCE_SYNONYM>
12712-98-0
132953-54-9
28861-88-3
4181-51-5
58-63-9
9-beta-D-Ribofuranosylhypoxanthine
AI3-52241
Atorel
EINECS 200-390-4
HXR
Hypoxanthine D-riboside
Hypoxanthine nucleoside
Hypoxanthine ribonucleoside
Hypoxanthine riboside
Hypoxanthine, 9-beta-D-ribofuranosyl-
Hypoxanthosine
INO
INO 495
INOSINE
Inosina [INN-Spanish]
Inosine [INN:JAN]
Inosinum [INN-Latin]
NSC 20262
Oxiamin
Panholic-L
Pantholic-L
Ribonosine
Selfer
Trophicardyl
beta-D-Ribofuranoside, hypoxanthine-9
beta-Inosine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
12712-98-0
132953-54-9
28861-88-3
4181-51-5
58-63-9

> <PUBCHEM_XREF_EXT_ID>
000058639

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000058639

> <PUBCHEM_CID_ASSOCIATIONS>
6021  1

> <PUBCHEM_BONDANNOTATIONS>
1  11  8
1  12  8
10  14  6
2  13  8
2  14  8
7  3  6
4  13  8
4  5  8
4  6  8
5  11  8
5  14  8
6  12  8
8  16  5
9  17  5

$$$$