6802
  -OEChem-02210611202D

 33 35  0     1  0  0  0  0  0999 V2000
    6.6648   -1.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0873    2.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3947    1.5449    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3452    1.2342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3435    0.2342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3919   -0.0732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5369   -0.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -2.6332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.3284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.0237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7577    3.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1552    1.8206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1515   -0.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8055    0.7369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -1.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7065    2.9857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5394    2.2063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825    1.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2493    1.8467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454   -0.3780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7794   -0.1691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5672    3.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7212    1.5674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183   -0.1038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  1 15  1  0  0  0  0
  1 21  1  0  0  0  0
  7  2  1  6  0  0  0
  2 16  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  4 12  1  0  0  0  0
  4 15  1  0  0  0  0
  5 14  1  0  0  0  0
  5 19  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  1  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  1  0  0  0
  9 26  1  0  0  0  0
 10 15  1  6  0  0  0
 10 20  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
6802

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQC4c8AAAAAAAAAAAAAAAABAYgEAACAAAAAAAAABQAAAHgAAgAAIEADhHAgAsAUGlgAWzBdxBwGogIAAdKAQFy2oAVABWINAVCDIQAoPgEAeANMCAAow8GAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_NIST_INCHI>
InChI=1/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1/f/h13H,11H2

> <PUBCHEM_CACTVS_XLOGP>
-2.553

> <PUBCHEM_OPENEYE_MF>
C10H13N5O5

> <PUBCHEM_OPENEYE_MW>
283.241

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N

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

> <PUBCHEM_CACTVS_TPSA>
155.22

> <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>
6

> <PUBCHEM_SUBSTANCE_ID>
151492

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000118003

> <PUBCHEM_SUBSTANCE_SYNONYM>
118-00-3
2(3H)-Imino-9-beta-D-ribofuranosyl-9H-purin-6(1H)-one
2-Amino-1,9-dihydro-9-beta-D-ribofuranosyl-6H-purin-6-one
484-80-0
6H-Purin-6-one, 2-amino-1,9-dihydro-9-beta-D-ribofuranosyl-
85-30-3
9-beta-D-Ribofuranosylguanine
AI3-52065
EINECS 204-227-8
GR
GUANINE-9:BETA-D-RIBOFURANOSIDE
GUANOSINE
Guanine riboside
Guanine, 9-beta-D-ribofuranosyl-
Guanine, 9-beta-D-ribofuranosyl- (VAN)
Guanozin
Guo
Inosine, 2-amino-
Inosine, 2-amino- (VAN)
NSC 19994
Ribofuranoside, guanine-9, beta-D-
USAF CB-11
Vernine
Vernine (VAN)
beta-D-Ribofuranoside, guanine-9

> <PUBCHEM_GENERIC_REGISTRY_NAME>
118-00-3
484-80-0
85-30-3

> <PUBCHEM_XREF_EXT_ID>
000118003

> <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=000118003

> <PUBCHEM_CID_ASSOCIATIONS>
6802  1

> <PUBCHEM_BONDANNOTATIONS>
1  13  8
1  15  8
10  15  6
7  2  6
3  13  8
3  4  8
3  5  8
4  12  8
4  15  8
5  14  8
6  12  8
6  14  8
8  17  5
9  18  5

$$$$