45263220
  -OEChem-05132414212D

 23 22  0     1  0  0  0  0  0999 V2000
    1.5005    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.1200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1350    4.6200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4030    4.6200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1350    3.6200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    3.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    3.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2  7  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  1  0  0  0  0
  3 20  1  0  0  0  0
  4  9  1  0  0  0  0
  4 21  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
45263220

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
120

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiOAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQCAAACBThgAYAAALAAgAAAAAAAAAAAAAAAAAAAIAIAAEDEAIAgAAEQAAHEACRAADwEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
piperidine-2,3,4,5-tetrol;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
piperidine-2,3,4,5-tetrol;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
piperidine-2,3,4,5-tetrol;hydrochloride

> <PUBCHEM_IUPAC_NAME>
piperidine-2,3,4,5-tetrol;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
piperidine-2,3,4,5-tetrol;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
piperidine-2,3,4,5-tetrol;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H11NO4.ClH/c7-2-1-6-5(10)4(9)3(2)8;/h2-10H,1H2;1H

> <PUBCHEM_IUPAC_INCHIKEY>
AEPDZTJJMIHYMG-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
185.0454856

> <PUBCHEM_MOLECULAR_FORMULA>
C5H12ClNO4

> <PUBCHEM_MOLECULAR_WEIGHT>
185.60

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C(C(C(N1)O)O)O)O.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(C(C(C(N1)O)O)O)O.Cl

> <PUBCHEM_CACTVS_TPSA>
93

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
185.0454856

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  2  3
8  3  3
9  4  3
10  5  3

$$$$