54407723
  -OEChem-04232414582D

 31 32  0     1  0  0  0  0  0999 V2000
    5.5655   -3.7094    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9623   -3.9307    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1835   -2.5339    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5134   -0.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166   -2.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7867   -2.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4364    0.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044    3.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044    0.9307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704    2.4307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044   -1.6082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2044   -1.6082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8954   -0.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -0.0693    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7922   -2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5704    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8384    2.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044    2.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3745   -3.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5920   -1.5112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8168   -1.5112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5854   -0.1202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3290   -0.9093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2568    0.2122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2349   -2.6890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9631   -3.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014    1.1207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1074    2.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014    2.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
 11  5  1  1  0  0  0
  5 28  1  0  0  0  0
  6 15  1  0  0  0  0
  6 20  1  0  0  0  0
  7 16  2  0  0  0  0
  8 19  2  0  0  0  0
 14  9  1  6  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 16  1  0  0  0  0
 10 19  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  1  6  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54407723

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
439

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOYAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHwAQCAAACBThgBYBAAPABgCIACFWUACAAAAAAgAIAAAIAECBEAIAgAAOQAAPFyIDAMCwMAoAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(2R,4S,5R)-4-hydroxy-5-(trifluoromethoxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(2R,4S,5R)-4-hydroxy-5-(trifluoromethoxymethyl)-2-oxolanyl]pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(2<I>R</I>,4<I>S</I>,5<I>R</I>)-4-hydroxy-5-(trifluoromethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
1-[(2R,4S,5R)-4-hydroxy-5-(trifluoromethoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(2R,4S,5R)-4-oxidanyl-5-(trifluoromethyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(2R,4S,5R)-4-hydroxy-5-(trifluoromethoxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H11F3N2O5/c11-10(12,13)19-4-6-5(16)3-8(20-6)15-2-1-7(17)14-9(15)18/h1-2,5-6,8,16H,3-4H2,(H,14,17,18)/t5-,6+,8+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
VRXIJDIAAGUGGV-SHYZEUOFSA-N

> <PUBCHEM_XLOGP3>
-0.4

> <PUBCHEM_EXACT_MASS>
296.06200594

> <PUBCHEM_MOLECULAR_FORMULA>
C10H11F3N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
296.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C(OC1N2C=CC(=O)NC2=O)COC(F)(F)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COC(F)(F)F)O

> <PUBCHEM_CACTVS_TPSA>
88.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
296.06200594

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
10  16  8
10  19  8
12  15  6
17  18  8
18  19  8
11  5  5
14  9  6
9  16  8
9  17  8

$$$$