9859210
  -OEChem-05092409162D

 27 26  0     1  0  0  0  0  0999 V2000
    1.8058    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    5.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    3.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    5.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    6.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    3.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    3.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4766    4.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2087    4.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4766    5.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2087    5.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6106    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    5.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736    7.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8058    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  8  3  1  1  0  0  0
  3 23  1  0  0  0  0
  9  4  1  6  0  0  0
  4 24  1  0  0  0  0
 12  5  1  1  0  0  0
  5 25  1  0  0  0  0
  6 13  1  0  0  0  0
  6 26  1  0  0  0  0
 10  7  1  6  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  1  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9859210

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
155

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiOAAEAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAHgAQCAAACDzxgAcACABABgAAAAAAAAAAAAAAAAAAAIAAAAATEAIAgAADQAAHEAAHAAHwcAUAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)tetrahydropyran-2,4,5-triol;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>,3<I>R</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrochloride

> <PUBCHEM_IUPAC_NAME>
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)oxane-2,4,5-triol;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,3R,4R,5S,6R)-3-amino-6-methylol-tetrahydropyran-2,4,5-triol;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5-,6-;/m1./s1

> <PUBCHEM_IUPAC_INCHIKEY>
QKPLRMLTKYXDST-OCOFDJSDSA-N

> <PUBCHEM_EXACT_MASS>
215.0560502

> <PUBCHEM_MOLECULAR_FORMULA>
C6H14ClNO5

> <PUBCHEM_MOLECULAR_WEIGHT>
215.63

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(C(O1)O)N)O)O)O.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O.Cl

> <PUBCHEM_CACTVS_TPSA>
116

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
215.0560502

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  5
8  3  5
9  4  6
12  5  5
10  7  6

$$$$