5790
 Wcorina  10100417263D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 28 29  0     1  0  0  0  0  0999 V2000
   -2.6320   -0.1149   -4.0061 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0174    1.4332    0.0099 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4424    0.7862   -0.7056 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8301    4.1958    0.4107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7670   -1.7839    0.9395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2276   -1.9251   -2.7529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1397   -0.5136   -0.7615 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0294   -1.8921   -0.8764 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0444    0.8904   -0.9828 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3184   -0.4407   -0.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3576    1.8735   -0.0008 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4593    3.3100   -0.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9725   -1.4077   -0.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3530   -0.0706   -2.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4062   -0.5406   -2.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2716   -1.4863   -2.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8760    1.1914   -2.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0379   -0.3809    1.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1139   -0.9891   -1.5893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124   -1.0477    0.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7950    1.7905    0.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9622    3.3843   -1.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5088    3.5835   -0.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8993    0.1174   -1.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6826    0.6507   -2.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6194   -2.5363   -0.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8567    5.1257    0.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  9  3  1  0  0  0  0
  3 25  1  0  0  0  0
  4 13  1  0  0  0  0
  4 28  1  0  0  0  0
  5 14  2  0  0  0  0
  6 17  2  0  0  0  0
 10  7  1  0  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 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 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 26  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5790

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
386

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOQAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHwAQCAAACBThgAYBAAPABgCIAAFWUACAAAAAAAAAAAAIAECBEAIAgAAOQAAPByIDAMCwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ODKNJVUHOIMIIZ-RRKCRQDMSA-N

> <PUBCHEM_XLOGP3>
-1.2

> <PUBCHEM_EXACT_MASS>
246.0652

> <PUBCHEM_MOLECULAR_FORMULA>
C9H11FN2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
246.192443

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)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>
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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$