6481236
  -OEChem-04162415262D

 32 33  0     1  0  0  0  0  0999 V2000
    6.2068   -1.5947    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377   -1.2857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5345   -3.0457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.9412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1788    0.3021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467    0.3021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3128    1.8021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467    3.3021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2558   -1.2857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9467   -2.2367    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4467   -0.6979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9467   -2.2367    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8435   -0.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3590   -3.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5807    0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3128    0.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5807    1.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467    2.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6653   -2.7891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8943   -0.4164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3344   -2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3451   -0.8411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2080    0.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3420   -0.1122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1880   -3.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9162   -3.3175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2823   -3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0438    0.4921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0438    2.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9098    3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9837    3.6121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  6  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
 10  3  1  6  0  0  0
  3 27  1  0  0  0  0
  4 14  1  0  0  0  0
  4 29  1  0  0  0  0
  5 16  2  0  0  0  0
 11  6  1  1  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 16  1  0  0  0  0
  7 18  2  0  0  0  0
  8 18  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  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 14  1  1  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
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6481236

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
427

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOQAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHwAQCAAADBThgAYDAANABgCoACJmdACAAAEAAgAIAAAYABCBEAIAgAAOQAAHFgIDAACwMAIMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-oxolanyl]-2-pyrimidinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-amino-1-[(2<I>R</I>,3<I>R</I>,4<I>R</I>,5<I>R</I>)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_NAME>
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanyl-1-[(2R,3R,4R,5R)-3-fluoranyl-5-(hydroxymethyl)-3-methyl-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H14FN3O4/c1-10(11)7(16)5(4-15)18-8(10)14-3-2-6(12)13-9(14)17/h2-3,5,7-8,15-16H,4H2,1H3,(H2,12,13,17)/t5-,7-,8-,10-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
NYPIRLYMDJMKGW-VPCXQMTMSA-N

> <PUBCHEM_XLOGP3_AA>
-1.4

> <PUBCHEM_EXACT_MASS>
259.09683410

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14FN3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
259.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C(C(OC1N2C=CC(=NC2=O)N)CO)O)F

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

> <PUBCHEM_CACTVS_TPSA>
108

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
259.09683410

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
9  1  6
12  14  5
15  17  8
17  18  8
10  3  6
11  6  5
6  15  8
6  16  8
7  16  8
7  18  8

$$$$