18343
  -OEChem-05231314102D

 28 29  0     1  0  0  0  0  0999 V2000
    5.9529    2.4571    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -1.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -2.8907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    0.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    3.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.4571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.9571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -1.1307    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7208   -2.0817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2208   -0.5429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7208   -2.0817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3086   -2.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    1.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -1.5691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -1.9847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684   -0.2614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -1.9847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8070   -3.2552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6730   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8102   -2.5263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -3.4571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    0.6471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8179    2.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  9  3  1  1  0  0  0
  3 25  1  0  0  0  0
 10  4  1  1  0  0  0
  4 26  1  0  0  0  0
  5 14  2  0  0  0  0
  6 17  2  0  0  0  0
 11  7  1  6  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 14  1  0  0  0  0
  8 17  1  0  0  0  0
  8 28  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 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  6  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
18343

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
399

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOQAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHwAQCAAACBThgAYDAAPABgCIAAFWUACAAAAAAAAAAAAIAECDEAIAgAAOQAAPByITAMCwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]-5-fluoro-pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-2-oxolanyl]-5-fluoropyrimidine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-fluoranyl-1-[(2R,3R,4S,5R)-5-methyl-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]-5-fluoro-pyrimidine-2,4-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ZWAOHEXOSAUJHY-ZIYNGMLESA-N

> <PUBCHEM_XLOGP3>
-1.7

> <PUBCHEM_EXACT_MASS>
246.0652

> <PUBCHEM_MOLECULAR_FORMULA>
C9H11FN2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
246.192443

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)O

> <PUBCHEM_CACTVS_TPSA>
99.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
246.0652

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  6
15  16  8
16  17  8
9  3  5
10  4  5
11  7  6
7  14  8
7  15  8
8  14  8
8  17  8

$$$$