70256963
  -OEChem-05132417582D

 40 40  0     1  0  0  0  0  0999 V2000
    2.5369   -1.5485    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690   -2.4145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.0485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.4515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.4515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4515    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -0.0485    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -0.0485    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -1.0485    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690   -1.5485    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010    0.4515    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -0.0485    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7690   -2.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.7615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8711   -0.4735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.7615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.7615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.7245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0790   -2.9515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3059   -2.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790   -2.9515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316    0.9264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346    0.9264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.7615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -1.3585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230    2.9515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.5715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830    2.9515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    0.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
 12  3  1  6  0  0  0
  3 31  1  0  0  0  0
 14  4  1  1  0  0  0
  4 32  1  0  0  0  0
 15  5  1  6  0  0  0
  5 35  1  0  0  0  0
 16  6  1  1  0  0  0
  6 36  1  0  0  0  0
  7 18  1  0  0  0  0
  7 40  1  0  0  0  0
  8 19  2  0  0  0  0
 10  9  1  1  0  0  0
  9 19  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  1  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70256963

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
358

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByOQAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAHwAQCAAACDzhgAYCCALABgAIAAEQEAAAAAAAAAAAAIAIAAATEAIAgAAHQAAHFgCXAAHw8KcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(2R,3R,4R,6R)-5-fluoro-4,6-dihydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-3-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(2R,3R,4R,6R)-5-fluoro-4,6-dihydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3-oxanyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(2<I>R</I>,3<I>R</I>,4<I>R</I>,6<I>R</I>)-5-fluoro-4,6-dihydroxy-6-methyl-2-[(1<I>R</I>,2<I>R</I>)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[(2R,3R,4R,6R)-5-fluoro-4,6-dihydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(2R,3R,4R,6R)-5-fluoranyl-6-methyl-4,6-bis(oxidanyl)-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxan-3-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(2R,3R,4R,6R)-5-fluoro-4,6-dihydroxy-6-methyl-2-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-3-yl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H20FNO7/c1-4(15)13-6-8(18)10(12)11(2,19)20-9(6)7(17)5(16)3-14/h5-10,14,16-19H,3H2,1-2H3,(H,13,15)/t5-,6-,7-,8-,9-,10?,11-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ACHUAUIEAIXOAO-ZDXPIZBTSA-N

> <PUBCHEM_XLOGP3_AA>
-2.6

> <PUBCHEM_EXACT_MASS>
297.12238014

> <PUBCHEM_MOLECULAR_FORMULA>
C11H20FNO7

> <PUBCHEM_MOLECULAR_WEIGHT>
297.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1C(C(C(OC1C(C(CO)O)O)(C)O)F)O

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

> <PUBCHEM_CACTVS_TPSA>
140

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
297.12238014

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
6

> <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>
13  1  3
11  22  5
12  3  6
14  4  5
15  5  6
16  6  5
10  9  5

$$$$