68794888
  -OEChem-04252408362D

 27 28  0     1  0  0  0  0  0999 V2000
    3.6377    0.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2068    0.3216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5345    2.3907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    2.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7147   -0.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467   -0.9571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5807   -2.4571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3128   -2.4571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467    1.5817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2558    0.6307    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9467    1.5817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4467    0.0429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3590    2.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5807   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3128   -1.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467   -2.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6942    1.0691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6653    2.1341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3344    1.4847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8943   -0.2386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9162    2.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1880    2.9867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6676    0.7365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2823    2.9571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8497   -1.1471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467   -3.5771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
 10  2  1  1  0  0  0
  2 23  1  0  0  0  0
  9  3  1  1  0  0  0
  3 24  1  0  0  0  0
  4 13  1  0  0  0  0
  4 26  1  0  0  0  0
  5 14  2  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  2  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  6  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 15 25  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68794888

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
345

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAACAAACBThgAYBAAMABgAoAAABNAAAAAEAAAABAAAIAACDEAIAiAAOQAAHBgITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,3,5-triazin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(3<I>R</I>,4<I>S</I>,5<I>R</I>)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one

> <PUBCHEM_IUPAC_NAME>
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,3,5-triazin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-s-triazin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H11N3O5/c12-1-4-5(13)6(14)7(16-4)11-3-9-2-10-8(11)15/h2-7,12-14H,1H2/t4-,5-,6-,7?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OSLBPVOJTCDNEF-RKEPMNIXSA-N

> <PUBCHEM_XLOGP3>
-1.6

> <PUBCHEM_EXACT_MASS>
229.06987046

> <PUBCHEM_MOLECULAR_FORMULA>
C8H11N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
229.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=NC(=O)N(C=N1)C2C(C(C(O2)CO)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=NC(=O)N(C=N1)C2[C@@H]([C@@H]([C@H](O2)CO)O)O

> <PUBCHEM_CACTVS_TPSA>
115

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
229.06987046

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
11  13  6
10  2  5
9  3  5
12  6  3
6  14  8
6  15  8
7  14  8
7  16  8
8  15  8
8  16  8

$$$$