183073
  -OEChem-05201322352D

 24 25  0     1  0  0  0  0  0999 V2000
    4.7423   -0.8906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8107   -2.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7982   -1.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9613    2.0239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4835    0.0753    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2246    1.0413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6515   -0.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0186   -1.1678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3927    0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8276    0.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9322   -0.7611    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0046    1.8623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8636   -1.2661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0602   -0.8699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5004   -1.5580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8014    0.0960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1806    0.8651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9299    0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4474    0.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8997   -1.3802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2713    2.5608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3039   -1.3290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2715   -2.5608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3351   -0.9511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  1 22  1  0  0  0  0
  8  2  1  6  0  0  0
  2 23  1  0  0  0  0
 11  3  1  1  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  6  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
183073

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
175

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiMAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAABgAAAAAAAAAAHgAQCAAACDzhgAYAAALAAgAAAAAAAAAAAAAAAAAAAIAIAAEDEAIAgAAEQAAHEACRAAGw0CEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-3,4,5-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME>
(1R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-3,4,5-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-3,4,5-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,3R,4S,5R)-8-azabicyclo[3.2.1]octane-3,4,5-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H13NO3/c9-5-3-4-1-2-7(11,8-4)6(5)10/h4-6,8-11H,1-3H2/t4-,5-,6+,7-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
XOCBOVUINUHZJA-MVIOUDGNSA-N

> <PUBCHEM_XLOGP3_AA>
-1.5

> <PUBCHEM_EXACT_MASS>
159.089543

> <PUBCHEM_MOLECULAR_FORMULA>
C7H13NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
159.18302

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2(C(C(CC1N2)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C[C@]2([C@H]([C@@H](C[C@@H]1N2)O)O)O

> <PUBCHEM_CACTVS_TPSA>
72.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
159.089543

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
5  1  5
8  2  6
11  3  5
6  12  6

$$$$